SCHEMBL8691823

SCHEMBL8691823

Cn1c(=O)cc(-c2ccc(Cl)cc2)c2cccnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.52
HSD17B10 Q99714 1/20 0.46
PDE10A Q9Y233 1/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
FEN1 P39748 1/20 0.43
IDH1 O75874 1/20 0.42
CYP3A4 P08684 3/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLO1 Q04760 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PDE4A P27815 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL8693990 0.89 TNKS (0.49) TNKSHSD17B10MAPTHPGDFEN1
SCHEMBL8696587 0.87 HSD17B10 (0.60) TNKSHSD17B10FEN1ALDH1A1PDE4A
SCHEMBL8692400 0.86 TNKS (0.50) TNKSHSD17B10MAPTHPGDFEN1
SCHEMBL8695958 0.80 ELANE (0.46) TNKSHSD17B10FEN1ACVR1
SCHEMBL829613 0.79 TNKS (0.52) TNKSMAPTHPGDFEN1CYP3A4
SCHEMBL8693905 0.78 PDE4A (0.45) TNKSHSD17B10FEN1KDM4EALDH1A1
SCHEMBL8692208 0.78 TNKS (0.47) TNKSMAPTHPGDFEN1IDH1
SCHEMBL8691107 0.78 BRD4 (0.52) TNKSHSD17B10FEN1MEN1ACVR1
SCHEMBL830491 0.78 TNKS (0.47) TNKSMAPTHPGDFEN1CYP3A4
SCHEMBL8691820 0.78 PIK3CD (0.51) TNKSHSD17B10FEN1PDE4AACVR1

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