SCHEMBL6573080

SCHEMBL6573080

NC(=O)C1=CC(c2ccc(C(N)=O)cc2)CC=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
PARP10 Q53GL7 10/20 0.35
PARP15 Q460N3 5/20 0.35
PARP4 Q9UKK3 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP14 Q460N5 1/20 0.35
PARP16 Q8N5Y8 1/20 0.35
PARP11 Q9NR21 1/20 0.35
PARP1 P09874 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL886018 0.85 PARP1 (0.35) ALDH1A1KMT2APARP1TSHRPOLB
SCHEMBL6277324 0.74 CYP2C9 (0.37) CYP2C9PARP10PARP15PARP4ALDH1A1
SCHEMBL22004261 0.70 CA12 (0.40) CYP2C9PARP10PARP15PARP4ALDH1A1
SCHEMBL11434530 0.70 GABRR1 (0.35)
SCHEMBL2762400 0.69 CYP2C9 (0.69) CYP2C9PARP10PARP15PARP4ALDH1A1
Hydrochloric Acid SCHEMBL28200483 0.67 CYP2C9 (0.67) CYP2C9PARP10PARP15PARP4ALDH1A1
SCHEMBL17963141 0.66 HDAC8 (0.61) CYP2C9PARP10PARP15PARP2
SCHEMBL14865191 0.66
SCHEMBL8227892 0.66
Terephthalamide SCHEMBL23774 0.65 PARP1 (0.71) PARP10PARP15PARP4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435933-A1 5'-CARBAMOYL-2'-METHYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
EP-1435936-A1 5'-CARBAMOYL-1,1-BIPHENYL-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
EP-1435942-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032970-A1 5'-CARBAMOYL-2'-METHYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003032972-A1 5’-CARBAMOYL-1,1-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed
WO-2003032980-A1 5'-CARBAMOYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed