SCHEMBL6017008

SCHEMBL6017008

N#Cc1ccc(NC(=O)c2nc3cc(Cl)ccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.54
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
NLRP3 Q96P20 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
FAAH O00519 1/20 0.46
ESR1 P03372 1/20 0.46
THRB P10828 1/20 0.45
PIN1 Q13526 1/20 0.45
IDH1 O75874 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL30912925 0.84 SMN1; SMN2 (0.50) TMPRSS4LMNAMAPTHTTTDP1
SCHEMBL16208387 0.81 THRB (0.70) LMNAMAPTTHRBMEN1KMT2A
SCHEMBL14340103 0.80 KCNQ3 (0.54) MEN1KMT2ARXFP1
SCHEMBL14516678 0.79 KCNQ3 (0.51) TMPRSS4LMNAMAPTTDP1FAAH
SCHEMBL6017009 0.79 PIN1 (0.57) MAPTFAAHPIN1IDH1NPC1
SCHEMBL3588802 0.78 KDR (0.53) LMNAMAPTHTTTDP1NPC1
SCHEMBL17538665 0.76 ENPP1 (0.52) TMPRSS4LMNAMAPTTSHRHTT
SCHEMBL29086861 0.76 GRIK1 (0.48) LMNAFAAHTHRBNPC1RAB9A
SCHEMBL30642989 0.76 GRIK1 (0.48) LMNAFAAHTHRBNPC1RAB9A
SCHEMBL28372986 0.76 RAB9A (0.71) LMNAMAPTHTTTDP1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed