SCHEMBL9588355

SCHEMBL9588355

COC(=O)c1cccn1C(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 7/20 0.49
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTPN7 P35236 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.43
SLC7A5 Q01650 1/20 0.43

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
SCHEMBL9592026 0.81 CYP2C19 (0.48) NPSR1MAPTKMT2AMEN1KDM4E
SCHEMBL14066227 0.81 MAPK1 (0.39) NPSR1MAPTKDM4EPOLBCYP2C9
SCHEMBL9589566 0.80 ERAP2 (0.39) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL9590334 0.75 MAPK1 (0.47) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL24967427 0.74 MAPK1 (0.48) MAPTKMT2AMEN1KDM4ECYP2C9
SCHEMBL24966942 0.74 MAPK1 (0.62) MAPTKMT2ATDP1MEN1CYP2C9
SCHEMBL15330975 0.72 HSD17B10 (0.55) HSD17B10NPSR1MAPTKMT2ATDP1
SCHEMBL13279340 0.72 PTGS2 (0.44) HSD17B10MAPTKDM4EPOLBCYP2C9
SCHEMBL4128009 0.72 HSD17B10 (0.63) HSD17B10NPSR1MAPTKMT2ATDP1
SCHEMBL1243976 0.72 CNR2 (0.55) MAPTKDM4EPOLBRAB9ATP53

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-5242939-A Hypotensive WARNER-LAMBERT COMPANY (US) 1993-09-07 US disclosed
WO-1992006081-A1 ANILIDE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1992-04-16 WO disclosed