SCHEMBL8695674

SCHEMBL8695674

Cc1ccccc1-c1cc(=O)n(C)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.48
FEN1 P39748 1/20 0.44
TNKS O95271 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NQO2 P16083 1/20 0.43
CYP3A4 P08684 1/20 0.41
CCNT1 O60563 1/20 0.40
PIM1 P11309 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CREBBP Q92793 1/20 0.39
PLA2G7 Q13093 1/20 0.38
BACE1 P56817 1/20 0.38
GRM4 Q14833 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 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
SCHEMBL8696587 0.82 HSD17B10 (0.60) BRD4FEN1TNKSCCNT1PIM1
SCHEMBL25703950 0.82 NQO2 (0.54) FEN1TNKSKDM4ENQO2GRM4
SCHEMBL8692208 0.80 TNKS (0.47) FEN1TNKSKDM4ECYP3A4CCNT1
SCHEMBL8695958 0.78 ELANE (0.46) FEN1TNKSHSD17B10BACE1
SCHEMBL8691823 0.76 TNKS (0.52) FEN1TNKSKDM4ECYP3A4HSD17B10
SCHEMBL8693990 0.76 TNKS (0.49) BRD4FEN1TNKSCCNT1PIM1
SCHEMBL829613 0.74 TNKS (0.52) FEN1TNKSKDM4ECYP3A4GRM4
SCHEMBL5871967 0.74 FEN1 (0.54) FEN1TNKSKDM4EHSD17B10GRM4
SCHEMBL21591678 0.74 FEN1 (0.50) FEN1TNKSKDM4ENQO2HSD17B10
SCHEMBL8693905 0.74 PDE4A (0.45) FEN1TNKSKDM4EHSD17B10BACE1

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
US-5817670-A RESPIRATORY SYSTEM DISORDERS, ORGAN TRANSPLANTATION, ANTITUMOR AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
EP-0779292-A1 NOVEL NAPHTHYRIDINE DERIVATIVE AND MEDICINAL COMPOSITION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-06-18 EP disclosed