SCHEMBL7401028

SCHEMBL7401028

N#Cc1ccc(-n2cc[nH]c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
CYP11B2 P19099 6/20 0.39
POLB P06746 2/20 0.39
ELANE P08246 1/20 0.39
PKM P14618 1/20 0.37
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GRM1 Q13255 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TYMP P19971 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
SCHEMBL4666220 0.79 POLB (0.41) POLBAPOBEC3GTDP1DDB1CRBN
SCHEMBL8356079 0.76 POLB (0.61) POLBELANEAPOBEC3GTDP1DDB1
SCHEMBL12386349 0.76 TDP1 (0.41) POLBPKMAPOBEC3GTDP1KDM4E
SCHEMBL16703411 0.76 POLB (0.39) POLBAPOBEC3GTDP1KDM4EDDB1
SCHEMBL793922 0.76 FAAH (0.41) POLBAPOBEC3GTDP1DDB1CRBN
SCHEMBL8723165 0.76 MGLL (0.41) POLBAPOBEC3GTDP1KDM4ETP53
SCHEMBL4732529 0.75 DDB1 (0.59) POLBAPOBEC3GTDP1KDM4EDDB1
SCHEMBL7037359 0.74 ELANE (0.38) CYP11B2POLBELANEKDM4ETP53
SCHEMBL5906085 0.73 TRPV1 (0.41) CYP11B2POLBAPOBEC3GTDP1DDB1
SCHEMBL8354925 0.71 ATM (0.47) POLBELANEPKMKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0715623-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1998-09-09 EP disclosed
US-5489594-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-02-06 US disclosed
US-5430043-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
WO-1995006038-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed