SCHEMBL8769170

SCHEMBL8769170

CCCCc1ccc(-c2ncc(-c3ccc(O)cc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.55
HSD17B2 P37059 3/20 0.55
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
STAT3 P40763 1/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 4/20 0.50
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 2/20 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
SCHEMBL8884801 0.94 KDM4E (0.59) HSD17B1HSD17B2RAB9ASMN1; SMN2MAPT
SCHEMBL8769157 0.94 KDM4E (0.59) HSD17B1HSD17B2RAB9ASMN1; SMN2MAPT
SCHEMBL8545371 0.94 KDM4E (0.59) HSD17B1HSD17B2RAB9ASMN1; SMN2MAPT
SCHEMBL7933637 0.87 RAB9A (0.54) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8883086 0.87 RAB9A (0.54) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8883767 0.84 HSD17B1 (0.51) HSD17B1HSD17B2RAB9ASMN1; SMN2MAPT
SCHEMBL8415817 0.83 RAB9A (0.50) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL1180130 0.83 HSD17B1 (0.74) HSD17B1HSD17B2RAB9ASMN1; SMN2MAPT
SCHEMBL8883434 0.80 RARB (0.47) HSD17B1HSD17B2RAB9ASMN1; SMN2MAPT
SCHEMBL8769317 0.79 THRB (0.44) RAB9ASMN1; SMN2MAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460624-B1 Liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1997-09-10 EP disclosed
US-5595685-A THIAZOLE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 1997-01-21 US disclosed
EP-0439170-B1 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KK (JP) 1995-04-19 EP disclosed
US-5269964-A Liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-12-14 US disclosed
EP-0460624-A2 Liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed
EP-0439170-A2 Mesomorphic compound, liquid crystal composition containing same, liquid crystal device using same and display apparatus CANON KABUSHIKI KAISHA (JP) 1991-07-31 EP disclosed