SCHEMBL8026124

SCHEMBL8026124

CCOC(=O)Cn1c(Cc2ccc(C#N)cc2)nc2ccc(N(C)S(=O)(=O)c3ccccc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
CNR2 P34972 5/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
C1R P00736 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ALOX5AP P20292 1/20 0.37
HCRTR2 O43614 1/20 0.36
ACSS2 Q9NR19 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.36
POLB P06746 1/20 0.36

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
Hydrochloric Acid SCHEMBL8016357 0.86 F2 (0.63) F2CNR2CNR1
SCHEMBL8030064 0.84 HCRTR2 (0.43) F2CNR2HSD17B10ALDH1A1HTT
SCHEMBL8031469 0.84 CNR2 (0.42) F2CNR2HCRTR2CNR1POLB
SCHEMBL8029957 0.83 F2 (0.40) F2CNR2ALDH1A1HCRTR2CNR1
SCHEMBL8145525 0.83 F2 (0.52) F2BRD1BRPF1ALDH1A1MEN1
SCHEMBL6634421 0.80 HCRTR2 (0.39) KDM4EHSD17B10ALDH1A1HPGDHTT
SCHEMBL8026721 0.79 F2 (0.57) F2CNR2BRD1BRPF1C1R
SCHEMBL8029744 0.78 F2 (0.60) F2CNR2BRD1BRPF1ALDH1A1
SCHEMBL8016208 0.78 CNR2 (0.47) F2CNR2HCRTR2CNR1POLB
SCHEMBL8027014 0.78 F2 (0.48) F2BRD1BRPF1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed