SCHEMBL4743799

SCHEMBL4743799

COc1ccc(C(=O)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
MAPT P10636 3/20 0.66
MAPK1 P28482 3/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.66
RAF1 P04049 1/20 0.66
GFER P55789 1/20 0.66
PAX8 Q06710 1/20 0.66
SRD5A2 P31213 1/20 0.62
GAA P10253 2/20 0.62
RAB9A P51151 2/20 0.59
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
MEN1 O00255 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 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
SCHEMBL11095128 0.86 ALDH1A1 (0.73) HPGDMAPTMAPK1ALDH1A1LMNA
SCHEMBL28933163 0.86 ALDH1A1 (0.73) HPGDMAPTMAPK1ALDH1A1LMNA
SCHEMBL257272 0.86 HPGD (0.64) HPGDMAPTMAPK1ALDH1A1LMNA
SCHEMBL6322177 0.82 SRD5A2 (0.79) HPGDMAPTSRD5A2RAB9AKMT2A
SCHEMBL9418310 0.82 RXFP1 (0.79) HPGDMAPTMAPK1ALDH1A1LMNA
SCHEMBL51509 0.82 RXFP1 (0.79) HPGDMAPTMAPK1ALDH1A1LMNA
SCHEMBL940271 0.81 MAPT (0.57) HPGDMAPTMAPK1ALDH1A1LMNA
SCHEMBL2466074 0.81 HPGD (1.00) HPGDMAPTMAPK1ALDH1A1LMNA
SCHEMBL9718965 0.81 ALDH1A1 (0.70) HPGDMAPTMAPK1ALDH1A1LMNA
SCHEMBL12362759 0.81 TUBB4A (0.72) HPGDMAPTMAPK1ALDH1A1LMNA

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
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed
EP-0860433-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BREWERY (JP) 2002-07-03 EP disclosed
US-6143764-A ETHER DERIVATIVES OF QUINOLINE, ANTITUMOR AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 EP disclosed