SCHEMBL14183683

SCHEMBL14183683

Cc1ccc(N(c2ccccc2)c2ccc3c(c2)Cc2cc4c(cc2-3)Cc2cc(N(c3ccccc3)c3ccc(C)cc3)ccc2-4)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 4/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ APP P05067 1/20 0.39
▸ HIF1A Q16665 1/20 0.36
▸ MAPT P10636 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL14212189 0.97 CYP2C19 (0.40) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14183710 0.97 CYP2C19 (0.43) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9811530 0.97 CYP2C19 (0.43) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14463256 0.97 CYP2C19 (0.43) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14212177 0.92 CYP1A2 (0.50) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14183730 0.92 CYP1A2 (0.42) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12120367 0.92 CYP1A2 (0.43) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14213911 0.91 CYP2C19 (0.40) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14212166 0.90 METAP1 (0.41) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20989424 0.90 CYP1A2 (0.41) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8679644-B2 Electroluminescent polymers containing planar arylamine units, the preparation and use thereof MERCK PATENT GMBH (DE) 2014-03-25 — — US disclosed
US-8679644-B2 Electroluminescent polymers containing planar arylamine units, the preparation and use thereof MERCK PATENT GMBH (DE) 2014-03-25 — — US disclosed
US-20080102312-A1 Electroluminescent Polymers Containing Planar Arylamine Units, the Preparation and Use Thereof MERCK PATENT GMBH (DE) 2008-05-01 — — US disclosed
US-20080102312-A1 Electroluminescent Polymers Containing Planar Arylamine Units, the Preparation and Use Thereof MERCK PATENT GMBH (DE) 2008-05-01 — — US disclosed
Send feedback