SCHEMBL10013484

SCHEMBL10013484

Cc1ccc2cc3cc(-c4cnc(-c5ccc(-c6ccccc6)cc5)s4)ccc3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.45
HSD17B2 P37059 3/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
HPGDS O60760 2/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KDR P35968 2/20 0.40

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
SCHEMBL10013483 0.93 HSD17B1 (0.42) HSD17B1HSD17B2NPC1RAB9AKDM4E
SCHEMBL10013476 0.92 HSD17B1 (0.51) HSD17B1HSD17B2NPC1RAB9AKDM4E
SCHEMBL10013480 0.90 HSD17B1 (0.44) HSD17B1HSD17B2NPC1RAB9AKDM4E
SCHEMBL10013453 0.90 HSD17B1 (0.53) HSD17B1HSD17B2NPC1RAB9AKDM4E
SCHEMBL13142447 0.87 HSD17B1 (0.49) HSD17B1HSD17B2NPC1RAB9AKDM4E
SCHEMBL10013447 0.87 HSD17B1 (0.56) HSD17B1HSD17B2NPC1RAB9AKDM4E
SCHEMBL10013477 0.86 HSD17B1 (0.56) HSD17B1HSD17B2NPC1RAB9AKDM4E
SCHEMBL13142442 0.85 HSD17B1 (0.50) HSD17B1HSD17B2NPC1RAB9AKDM4E
SCHEMBL10013452 0.84 HSD17B1 (0.58) HSD17B1HSD17B2NPC1RAB9AKDM4E
SCHEMBL13142461 0.83 HSD17B1 (0.47) HSD17B1HSD17B2NPC1RAB9AKDM4E

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-8148543-B2 A benzene or polycondensed aromatic ring substituted with substituted thiazole groups; storage stability and high ON current CANON KABUSHIKI KAISHA (JP) 2012-04-03 US disclosed
US-8148543-B2 A benzene or polycondensed aromatic ring substituted with substituted thiazole groups; storage stability and high ON current CANON KABUSHIKI KAISHA (JP) 2012-04-03 US disclosed