SCHEMBL7524864

SCHEMBL7524864

CCOc1csc(-c2cc(OCC)cs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
MAPT P10636 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 3/20 0.36
LTA4H P09960 2/20 0.35
KDM4E B2RXH2 3/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CDC25C P30307 1/20 0.35
DUSP3 P51452 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL21700400 0.79
SCHEMBL5573644 0.79 NR5A1 (0.44) TSHRTP53CYP3A4NPC1RAB9A
SCHEMBL9509027 0.77 NR5A1 (0.47) MAPTHSD17B10TSHRTP53NPC1
SCHEMBL24579381 0.74 ALDH1A1 (0.41) NQO1MAPTALDH1A1HSD17B10TSHR
SCHEMBL3376870 0.74 NQO1 (0.39) NQO1MAPTALDH1A1HSD17B10TSHR
SCHEMBL7516036 0.73 NPC1 (0.34) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24577776 0.73 ALDH1A1 (0.38) NQO1MAPTALDH1A1HSD17B10TSHR
SCHEMBL3794081 0.73 MAPT (0.40) NQO1MAPTALDH1A1HSD17B10TSHR
SCHEMBL13841241 0.71 DAO (0.50) MAPTALDH1A1HSD17B10TSHRTDP1
SCHEMBL25983176 0.71 MAPT (0.52) NQO1MAPTALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918766-B1 SELF-ACID-DOPED HIGHLY CONDUCTING POLYTHIOPHENES UNIV MONTREAL (CA) 2002-02-06 EP disclosed
US-6051679-A A META-ALKYLSULFONATE OR META-ALKYLSULFONIC ACID MONOMER CONTAINING POLYTHIOPHENE; POLYMERIZED BY OXIDATIVE DOPING OF THE MONOMER UNIVERSITEDE MONTREAL (CA) 2000-04-18 US disclosed
EP-0918766-A1 NOVEL SELF-ACID-DOPED HIGHLY CONDUCTING POLYTHIOPHENES UNIVERSITE DE MONTREAL (CA) 1999-06-02 EP disclosed
WO-1998003499-A1 NOVEL SELF-ACID-DOPED HIGHLY CONDUCTING POLYTHIOPHENES UNIVERSITE DE MONTREAL (CA) 1998-01-29 WO disclosed
EP-0416567-A2 Intrinsically electro-conductive polymers, process for preparing the same and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed