SCHEMBL8662298

SCHEMBL8662298

COc1ccc(NC(=O)c2c[nH]nn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
TP53 P04637 3/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.57
XDH P47989 1/20 0.53
GPR35 Q9HC97 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
P4HTM Q9NXG6 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50

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
SCHEMBL4593089 0.81 POLB (0.56) KMT2AKDM4ETP53NPC1RAB9A
SCHEMBL4751754 0.80 NPC1 (0.57) MEN1KMT2ATP53MAPTNPC1
SCHEMBL4752431 0.80 MEN1 (0.52) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL19100236 0.80 KDM4E (0.53) MEN1KMT2AKDM4EGAA
SCHEMBL6816234 0.78 NAMPT (0.50) KMT2AMAPTNPC1RAB9A
SCHEMBL23246003 0.77 GAA (0.63) MEN1KMT2AKDM4EGAATP53
SCHEMBL27697586 0.76 NPSR1 (0.54) MEN1KMT2AGAATP53MAPT
SCHEMBL30808836 0.75 KMT2A (0.67) MEN1KMT2AKDM4EGAATP53
SCHEMBL27202069 0.75 KMT2A (0.73) MEN1KMT2AKDM4EGAATP53
SCHEMBL29793247 0.75 KMT2A (0.73) MEN1KMT2AKDM4EGAATP53

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
EP-0840740-A1 NEW INHIBITORS OF PLATELET AGGREGATION Astra Pharmaceuticals Limited (GB) 1998-05-13 EP claimed
WO-1997003084-A1 NEW INHIBITORS OF PLATELET AGGREGATION ASTRA PHARMACEUTICALS LTD. (GB) 1997-01-30 WO claimed