SCHEMBL13167232

SCHEMBL13167232

CNc1ccc(Nc2ccc(C)c3nc4c5ccccc5c5ccccc5c4nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AURKA O14965 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.35
GUSB P08236 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CDC25B P30305 1/20 0.34
ATM Q13315 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
SCHEMBL13167239 0.84 KDM1A (0.49) KDM1AMEN1KMT2AAURKAKDM4E
SCHEMBL13167235 0.81 KDM1A (0.42) KDM1AMEN1KMT2AKDM4ETP53
SCHEMBL14015461 0.78 CYP1A2 (0.50) MEN1KMT2ATP53LMNAL3MBTL1
SCHEMBL13167240 0.76 NPC1 (0.38) KDM1AMEN1KMT2AAURKATP53
SCHEMBL13167237 0.75 TP53 (0.43) MEN1KMT2ATP53LMNAL3MBTL1
SCHEMBL13167243 0.75 IDO1 (0.35) KDM1AMEN1KMT2AKDM4ELMNA
SCHEMBL13167244 0.75 SMN1; SMN2 (0.38) KDM1AMEN1KMT2AKDM4ETP53
SCHEMBL13167229 0.73 GAA (0.43) MEN1KMT2AKDM4ETP53LMNA
SCHEMBL13167280 0.71 KDM1A (0.48) KDM1AKMT2AAURKAKDM4EL3MBTL1
SCHEMBL13167234 0.71 LMNA (0.47) KDM4ELMNAL3MBTL1RAB9ANPC1

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-7799894-B2 copolymer of diaminobenzene with a diamine containing substituted quinoxaline ring (2,3-diphenyl-5-(4-aminophenyl)aminoquinoxaline, 2,3-di(4-methylphenyl)-5-(4-aminophenyl)aminoquinoxaline; Poly{2,3-di(2-thienyl)-5-(4-aminophenyl)aminoquinoxaline; polyaminequinoxalines YAMAGUCHI UNIVERSITY (JP) 2010-09-21 US disclosed
US-20070120112-A1 copolymer of diaminobenzene with a diamine containing substituted quinoxaline ring (2,3-diphenyl-5-(4-aminophenyl)aminoquinoxaline, 2,3-di(4-methylphenyl)-5-(4-aminophenyl)aminoquinoxaline; Poly{2,3-di(2-thienyl)-5-(4-aminophenyl)aminoquinoxaline; polyaminequinoxalines YAMAGUCHI UNIVERSITY (JP) 2007-05-31 US disclosed