SCHEMBL7956548

SCHEMBL7956548

CCC[S+](C)c1c([O-])c2cccnc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
PARP1 P09874 1/20 0.46
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DAO P14920 1/20 0.37
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
FEN1 P39748 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NSD2 O96028 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
SCHEMBL8081066 0.69 PARP1 (0.46) PARP1DAOSMN1; SMN2
SCHEMBL7954712 0.69 PDE4A (0.48) MAPTMEN1KMT2AKDM4E
SCHEMBL5872099 0.67 AURKA (0.53) AURKAPARP1FGFR1FLT1FEN1
SCHEMBL7954380 0.66 RXFP1 (0.52) MAPTHTTMEN1KMT2AKDM4E
SCHEMBL14224041 0.64 AURKA (0.57) AURKAPARP1DAOFGFR1FLT1
SCHEMBL6531057 0.64 PARP1 (1.00) AURKAPARP1MEN1KMT2ADAO
SCHEMBL10528960 0.63 PARP1 (0.70) AURKAPARP1MAPTMEN1KMT2A
SCHEMBL653371 0.62 AURKA (0.79) AURKAPARP1MEN1KMT2ADAO
SCHEMBL22185856 0.61 DAO (0.61) AURKAPARP1DAOKDM4EALDH1A1
SCHEMBL3358656 0.61 AURKA (0.57) AURKAPARP1MAPTKMT2ADAO

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-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed