SCHEMBL4696046

SCHEMBL4696046

Cc1ccc(C(Br)C=O)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
ALOX5 P09917 1/20 0.38
MAPT P10636 7/20 0.34
POLB P06746 3/20 0.34
PKM P14618 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.32
GLA P06280 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KDM1A O60341 1/20 0.32
HTT P42858 2/20 0.31

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
SCHEMBL4138473 0.76 TDP1 (0.43) TDP1ALOX5MAPTPOLBPKM
SCHEMBL25660525 0.74 ALOX5 (0.42) TDP1ALOX5MAPTPOLBPKM
SCHEMBL28131021 0.74
SCHEMBL25660378 0.74 ALOX5 (0.42) TDP1ALOX5MAPTPOLBPKM
SCHEMBL5309513 0.74 MAPT (0.42) TDP1ALOX5MAPTPOLBPKM
SCHEMBL2518991 0.71 TDP1 (0.39) TDP1ALOX5MAPTPOLBPKM
SCHEMBL27496188 0.69 KMT2A (0.50) MAPTPOLBL3MBTL1MEN1KMT2A
SCHEMBL27992634 0.69 LMNA (0.32) TDP1POLBGLALMNAKDM4E
SCHEMBL4983325 0.68 TDP1 (0.59) TDP1ALOX5MAPTPOLBPKM
SCHEMBL1532417 0.67 ALOX5 (0.40) TDP1ALOX5MAPTPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875005-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF Impact Therapeutics, Inc. (CN) 2015-05-27 EP disclosed
WO-2014012511-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2014-01-23 WO disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 WO disclosed
WO-2004106345-A2 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-12-09 WO disclosed
EP-1465895-A2 4-OXO-4,7-DIHYDROFURO(2,3-B)PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-13 EP disclosed
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 EP disclosed
WO-2003059911-A2 4-OXO-4, 7-DIHYDROFURO[2,3-b]PYRIDINE-5-CARBOXAMIDE ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 WO disclosed