SCHEMBL27596146

SCHEMBL27596146

C=Cc1ccc(-c2ccc(CN)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.64
TAAR1 Q96RJ0 4/20 0.54
ALDH1A1 P00352 2/20 0.50
CYP2A6 P11509 1/20 0.42
LOXL2 Q9Y4K0 5/20 0.42
ADRB2 P07550 1/20 0.42
ABAT P80404 1/20 0.41
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.39
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT3 P36888 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL248455 0.93 ALDH1A1 (0.58) HRH3TAAR1ALDH1A1LOXL2ABAT
Iodide SCHEMBL28590159 0.91 ALDH1A1 (0.55) HRH3TAAR1ALDH1A1LOXL2ABAT
Hydrochloric Acid SCHEMBL456689 0.91 ALDH1A1 (0.55) HRH3TAAR1ALDH1A1LOXL2ABAT
Styrene SCHEMBL22466624 0.84 ALDH1A1 (0.61) HRH3TAAR1ALDH1A1LOXL2ADRB2
SCHEMBL32670784 0.81 ALDH1A1 (0.55) HRH3ALDH1A1TSHR
SCHEMBL2274647 0.80 HRH3 (1.00) HRH3TAAR1CYP2A6LOXL2ADRB2
SCHEMBL593791 0.80 ALDH1A1 (0.79) ALDH1A1TSHRDAPK3JAK2ABL1
SCHEMBL583978 0.80 ALDH1A1 (0.79) ALDH1A1TSHRDAPK3JAK2ABL1
Acetic Acid SCHEMBL11220768 0.78 KDM4E (0.51) HRH3TAAR1ALDH1A1LOXL2ABAT
SCHEMBL11598719 0.77 ALDH1A1 (0.50) HRH3ALDH1A1TSHRDAPK3JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105764944-B Asphalt modifier and the bituminous composition containing the asphalt modifier LG化学株式会社 2018-01-05 CN claimed
CN-105764944-A Asphalt modifier and asphalt composition containing same LG化学株式会社 2016-07-13 CN claimed
CN-1620481-A Bituminous composition comprising diblock copolymer LG CHEMICAL LTD (KR) 2005-05-25 CN claimed
CN-1479758-A Preparation method of linear block copolymer LG化学株式会社 2004-03-03 CN claimed
CN-106029708-B Process for producing modified conjugated diene-based polymer and rubber composition containing the same LG化学株式会社 2019-05-03 CN disclosed
CN-106029709-B Modified conjugated diene polymer, modified rubber composition comprising same, and method for producing same LG化学株式会社 2018-08-31 CN disclosed
CN-106068301-B Conjugated diene-based polymer rubber composition containing dispersant LG化学株式会社 2018-07-06 CN disclosed
CN-107936150-A Modified conjugated diene polymer and preparation method thereof LG化学株式会社 2018-04-20 CN disclosed
CN-106068280-B The modified polymer based on conjugated diene, its preparation method, and the rubber composition comprising the polymer LG化学株式会社 2017-10-27 CN disclosed
CN-104271609-B The method preparing modified conjugated diene polymer continuously, the polymer being obtained by the method and the rubber composition comprising this polymer LG化学株式会社 2016-11-09 CN disclosed
CN-106068301-A Conjugated diene-based polymer rubber composition containing dispersant LG化学株式会社 2016-11-02 CN disclosed
CN-106068280-A The polymer based on conjugated diene of modification, its preparation method, and comprise the rubber composition of this polymer LG化学株式会社 2016-11-02 CN disclosed
CN-104603157-B Modified conjugated diene polymer, its preparation method and comprise the rubber composition of described modified conjugated diene polymer LG化学株式会社 2016-08-31 CN disclosed
CN-104271608-B The method preparing conjugated diolefin polymer, the compositions comprising described conjugated diolefin polymer and the tire comprising described compositions LG化学株式会社 2016-08-31 CN disclosed
CN-104603157-A MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PREPARING MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION CONTAINING MODIFIED CONJUGATED DIENE POLYMER LG CHEMICAL LTD 2015-05-06 CN disclosed
CN-104271609-A Process for continuous production of modified conjugated diene polymer, polymer produced by process, and rubber composition comprising same LG CHEMICAL LTD 2015-01-07 CN disclosed
CN-104271608-A METHOD FOR PREPARING CONJUGATED DIENE-BASED POLYMER, COMPOSITION CONTAINING POLYMER, AND TIRE COMPRISING COMPOSITION LG CHEMICAL LTD 2015-01-07 CN disclosed
CN-100344661-C Process for preparing linear block copolymer LG CHEMICAL LTD (KR) 2007-10-24 CN disclosed
CN-1620481-A Bituminous composition comprising diblock copolymer LG CHEMICAL LTD (KR) 2005-05-25 CN disclosed
CN-1479758-A Preparation method of linear block copolymer LG化学株式会社 2004-03-03 CN disclosed