SCHEMBL3239653

SCHEMBL3239653

C=Cc1ccc(SC(N)=S)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL24306252 0.83 NPC1 (0.52) ALDH1A1TDP1TSHRNPC1MAPT
SCHEMBL24305968 0.76 ALDH1A1 (0.42) ALDH1A1TDP1TSHRNPC1MAPT
SCHEMBL21327719 0.73 NOS1 (0.44) ALDH1A1
SCHEMBL6897191 0.71 ALDH1A1 (0.52) ALDH1A1TDP1TSHRMAPTHTT
SCHEMBL14919250 0.71 MAPT (0.40) ALDH1A1TDP1NPC1MAPTHTT
SCHEMBL5572911 0.71 ALDH1A1 (0.46) ALDH1A1TDP1TSHRMAPTRAB9A
SCHEMBL711232 0.71 ALDH1A1 (0.39) ALDH1A1TSHRNPC1MAPTHTT
SCHEMBL4437065 0.70 HSD17B10 (0.41) ALDH1A1TDP1TSHRNPC1MAPT
SCHEMBL18726334 0.70 ALDH1A1 (0.58) ALDH1A1TDP1TSHRHDAC8
SCHEMBL18649595 0.70 ALDH1A1 (0.58) ALDH1A1TDP1TSHRHDAC8

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
WO-2010020008-A1 POLYMER COATINGS POLYMERS CRC LIMITED (AU) 2010-02-25 WO disclosed
EP-2052045-A1 POLYMERIC COATINGS AND METHODS FOR FORMING THEM Commonwealth Scientific and Industrial Research Organisation (AU) 2009-04-29 EP disclosed
WO-2008019450-A1 POLYMERIC COATINGS AND METHODS FOR FORMING THEM COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2008-02-21 WO disclosed