SCHEMBL1342808

SCHEMBL1342808

CCCCCc1ccccc1.[NaH]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.66
▸ SIGMAR1 Q99720 3/20 0.61
▸ HTR2A P28223 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ ADRA2A P08913 3/20 0.56
▸ SLC6A2 P23975 3/20 0.56
▸ SLC6A4 P31645 3/20 0.56
▸ SLC6A3 Q01959 3/20 0.56
▸ ESR1 P03372 2/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ TACR2 P21452 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ CHRM2 P08172 2/20 0.56
▸ CHRM1 P11229 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ SHBG P04278 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56

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
SCHEMBL9568691 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A
SCHEMBL11855272 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A
SCHEMBL9814496 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A
Benzene SCHEMBL8879075 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A
SCHEMBL2299713 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A
SCHEMBL11704527 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A
SCHEMBL7768473 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A
SCHEMBL318925 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A
SCHEMBL9853223 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A
SCHEMBL10611454 0.98 KCNH2 (0.69) KCNH2SIGMAR1HTR2AMAOAADRA2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 — — CN disclosed
CN-107250226-A Acrylic resin modified solidfied material and its layered product and their manufacture method 三井化学株式会社 2017-10-13 — — CN disclosed
CN-106659639-A Dental prosthesis 三井化学株式会社 2017-05-10 — — CN disclosed
CN-105814092-A Composition for hydrophilic cured product 三井化学株式会社 2016-07-27 — — CN disclosed
EP-2007550-B1 ADJUVANT FOR CMP SLURRY LG CHEMICAL LTD (KR) 2014-03-05 — — EP disclosed
US-8062395-B2 Adjuvant for CMP slurry LG CHEM, LTD. (KR) 2011-11-22 — — US disclosed
EP-2007550-A1 ADJUVANT FOR CMP SLURRY LG Chem, Ltd. (KR) 2008-12-31 — — EP disclosed
WO-2007119965-A1 ADJUVANT FOR CMP SLURRY LG CHEM, LTD. (KR) 2007-10-25 — — WO disclosed
US-20070243710-A1 Adjuvant for CMP slurry LG CHEM, LTD. (KR) 2007-10-18 — — US disclosed
US-4851138-A QUATERNARY AMMONIUM, CLAY AND AMIDE, IMIDE OR UREA AKZO, N.V. (NL) 1989-07-25 — — US disclosed
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