SCHEMBL4702157

SCHEMBL4702157

COCNC(=O)Oc1n[nH]c(NC(=O)c2ccccc2Cl)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
F2 P00734 1/20 0.45
MAPT P10636 1/20 0.45
BDKRB1 P46663 3/20 0.43
RAB9A P51151 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 2/20 0.39
PTGES O14684 1/20 0.39
CSNK2A2 P19784 1/20 0.38
KDR P35968 1/20 0.38
PLK1 P53350 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL4703839 0.86 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2HPGDF2MAPT
SCHEMBL4706287 0.83 BDKRB1 (0.47) KMT2ASMN1; SMN2HPGDF2MAPT
SCHEMBL4789522 0.80 BDKRB1 (0.54) KMT2ASMN1; SMN2HPGDF2MAPT
SCHEMBL4704250 0.79 ITGB1 (0.49) KMT2ASMN1; SMN2HPGDF2MAPT
SCHEMBL4704255 0.78 BDKRB1 (0.48) KMT2ABDKRB1RAB9ANPC1ALDH1A1
SCHEMBL4788480 0.76 BDKRB1 (0.43) KMT2ASMN1; SMN2HPGDF2MAPT
SCHEMBL4703909 0.75 BDKRB1 (0.68) BDKRB1
SCHEMBL4706728 0.75 POLB (0.51) KMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL4704544 0.75 BDKRB1 (0.44) KMT2ASMN1; SMN2HPGDF2MAPT
SCHEMBL4035233 0.75 BDKRB1 (0.55) KMT2ASMN1; SMN2HPGDF2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP claimed