SCHEMBL4185402

SCHEMBL4185402

CC(C)(C)c1ccc(-c2nc3c(N)cccc3nc2-c2ccc(-c3nc4cccc(N)c4nc3-c3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.50
AKT2 P31751 1/20 0.50
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
S1PR1 P21453 1/20 0.41
TNF P01375 1/20 0.41
NOD1 Q9Y239 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
ADORA2A P29274 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DHFR P00374 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2864002 0.82 TDP1 (0.58) AKT1AKT2NPC1RAB9AADORA2A
SCHEMBL4187116 0.82 KMT2A (0.53) AKT1AKT2NPC1RAB9AADORA2A
SCHEMBL2862813 0.80 KMT2A (0.54) AKT1AKT2NPC1RAB9AADORA2A
SCHEMBL13172436 0.79 MEN1 (0.58) ADORA2AKDM4EKMT2AALDH1A1MEN1
SCHEMBL2870008 0.79 CYP1A1 (0.41) AKT1AKT2NPC1RAB9ATNKS
SCHEMBL2865549 0.78 KDM4E (0.61) NPC1RAB9AADORA2AKDM4EKMT2A
SCHEMBL28037464 0.78 KMT2A (0.53) AKT1AKT2NPC1RAB9ATNKS
SCHEMBL28037446 0.78 KMT2A (0.53) AKT1AKT2NPC1RAB9ATNKS
SCHEMBL22969335 0.77 KIF11 (0.52) AKT1AKT2HDAC6NPC1RAB9A
SCHEMBL29893132 0.77 AKT1 (0.46) AKT1AKT2HDAC6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640402-B1 DIAMINE HAVING QUINOXALINE UNIT, POLYIMIDE PRECURSOR, POLYIMIDE AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2009-02-11 EP disclosed
US-20060128937-A1 Diamine having quinoxaline unit, polyimide precursor, polyimide and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-15 US disclosed
EP-1640402-A1 DIAMINE HAVING QUINOXALINE UNIT, POLYIMIDE PRECURSOR, POLYIMIDE AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2006-03-29 EP disclosed