SCHEMBL4611501

SCHEMBL4611501

C1=NN(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 7/20 0.42
FAAH O00519 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
MGLL Q99685 1/20 0.42
USP2 O75604 9/20 0.41
HSD17B10 Q99714 8/20 0.41
MAPK1 P28482 7/20 0.41
CYP1A2 P05177 7/20 0.41
CYP2D6 P10635 6/20 0.41
TP53 P04637 4/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 1/20 0.41
DHFR P00374 3/20 0.40
HIF1A Q16665 3/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL27762333 0.84 TP53 (0.47) ALDH1A1FAAHMGLLUSP2HSD17B10
SCHEMBL44773 0.83 TP53 (0.48) HSD17B10MAPK1TP53CYP3A4KDM4E
SCHEMBL6304342 0.83 TP53 (0.48) HSD17B10MAPK1TP53CYP3A4KDM4E
SCHEMBL27863048 0.80 CYP1A2 (0.44) ALDH1A1HTTHSD17B10CYP1A2TP53
SCHEMBL27762324 0.77 ALOX5 (0.46) HTR1AHTR7ALDH1A1HTTMGLL
SCHEMBL10655726 0.77 ADRA2C (0.47) ALDH1A1USP2TP53CYP3A4TSHR
SCHEMBL8746704 0.77 ADRB1 (0.46) ALDH1A1HSP90AA1MGLLTP53TSHR
SCHEMBL27762341 0.75 NPC1 (0.49) ALDH1A1PKMMGLLCYP1A2CYP3A4
SCHEMBL20709491 0.73 ERCC1 (0.41) HTR1AHTR7HRH3
SCHEMBL9712169 0.73 ALOX5 (0.56) ALDH1A1HTTTSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105473699-A Enzyme granule with fluorescent whitening agent NOVOZYMES AS 2016-04-06 CN claimed
CN-105001671-A Compound brightening agent and washing agent composition containing compound brightening agent NICE LISHUI DAILY CHEMICAL CO LTD 2015-10-28 CN claimed
CN-101120046-B Molded article exhibiting multi-color effects, associated lighting device and resin ARKEMA FRANCE 2011-02-23 CN claimed
CN-100471940-C Surface brightening composition CIBA SPEC CHEM CORP (CH) 2009-03-25 CN claimed
CN-101120046-A Molded article exhibiting multi-color effects, associated lighting device and resin ARKEMA FRANCE (FR) 2008-02-06 CN claimed
CN-1878857-A Surface brightening composition CIBA SC HOLDING AG (CH) 2006-12-13 CN claimed
CN-1334859-A Transparent/translucent liquid enzyme compositions in clear bottles comprising fluorescent dye or UV absorber UNILEVER NV (NL) 2002-02-06 CN claimed
CN-1334861-A Transparent/translucent liquid compositions in clear bottles comprising colorant and fluorescent dye or UV absorber UNILEVER NV (NL) 2002-02-06 CN claimed
CN-1245516-A Method for preparing light-absorbing polymer composition EASTMAN CHEM CO (US) 2000-02-23 CN claimed
CN-1083859-A Detergent composition PROCTER & GAMBLE (US) 1994-03-16 CN claimed
CN-104781463-B Improved cleaning apparatus and method 塞罗斯有限公司 2017-10-10 CN disclosed
CN-103348049-B The clean method improved 塞罗斯有限公司 2016-09-21 CN disclosed
CN-105473699-A Enzyme granule with fluorescent whitening agent NOVOZYMES AS 2016-04-06 CN disclosed
CN-103154229-B The granular detergent composition of packaging UNILEVER NEDERLAND B.V. (NL) 2016-03-16 CN disclosed
CN-105378048-A Novel cleaning formulations and methods XEROS LTD 2016-03-02 CN disclosed
CN-1334861-A Transparent/translucent liquid compositions in clear bottles comprising colorant and fluorescent dye or UV absorber UNILEVER NV (NL) 2002-02-06 CN disclosed
CN-1245516-A Method for preparing light-absorbing polymer composition EASTMAN CHEM CO (US) 2000-02-23 CN disclosed
CN-1230973-A Jet ink composition VIDEO FLUIDIC SYSTEM INTERNATI (US) 1999-10-06 CN disclosed
CN-1209147-A Soil release polymers with fluorescent whitening properties PROCTER & GAMBLE (US) 1999-02-24 CN disclosed
CN-1083859-A Detergent composition PROCTER & GAMBLE (US) 1994-03-16 CN disclosed