SCHEMBL4018218

SCHEMBL4018218

Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(CO)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ PTGES O14684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ LTB4R2 Q9NPC1 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CNR2 P34972 4/20 0.40
▸ CNR1 P21554 3/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL14045822 0.97 MEN1 (0.45) CYP2C19MEN1KMT2ATSHRPTGES
SCHEMBL10061534 0.97 MEN1 (0.45) CYP2C19MEN1KMT2ATSHRPTGES
SCHEMBL14467764 0.95 CYP2C19 (0.48) CYP2C19MEN1KMT2ATSHRLTB4R2
SCHEMBL13308617 0.93 MAP2K4 (0.41) CYP2C19MEN1KMT2ATSHRPTGES
SCHEMBL279257 0.93 MAP2K4 (0.41) CYP2C19MEN1KMT2ATSHRPTGES
SCHEMBL14174106 0.93 MAP2K4 (0.41) CYP2C19MEN1KMT2ATSHRPTGES
SCHEMBL14173671 0.93 MAP2K4 (0.41) CYP2C19MEN1KMT2ATSHRPTGES
SCHEMBL10330866 0.91 TSHR (0.52) CYP2C19MEN1KMT2ATSHRLTB4R2
SCHEMBL13599812 0.91 TSHR (0.52) CYP2C19MEN1KMT2ATSHRLTB4R2
SCHEMBL22941864 0.91 TSHR (0.52) CYP2C19MEN1KMT2ATSHRLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009092671-A2 ORGANIC LIGHT EMITTING SYSTEMS BASF SE (DE) 2009-07-30 — — WO disclosed
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