SCHEMBL8665705

SCHEMBL8665705

COc1ccc(C2=NC(c3ccccc3C#N)(C3(c4ccccc4C#N)N=C(c4ccc(OC)cc4)C(c4ccc(OC)cc4)=N3)N=C2c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BACE1 P56817 1/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2494854 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EADORA1ADORA2ASMN1; SMN2
SCHEMBL8664266 0.80 MAPT (0.41) POLBNPC1RAB9AALDH1A1MEN1
SCHEMBL8663197 0.79 NR1H4 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL490794 0.78 RELA (0.40) GAANPC1RAB9AALDH1A1MEN1
SCHEMBL2497219 0.77 PARP10 (0.40) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL8667011 0.77 ABL1 (0.46) POLBGAANPC1RAB9AALDH1A1
SCHEMBL491196 0.75 RAB9A (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL8665435 0.75 MAPT (0.42) POLBNPC1RAB9AALDH1A1MEN1
SCHEMBL8665416 0.75 NPC1 (0.44) GAANPC1RAB9AALDH1A1MEN1
SCHEMBL11268438 0.75 ALDH1A1 (0.43) NPC1RAB9AALDH1A1KDM4EBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792589-A ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-08-11 US disclosed