SCHEMBL10065041

SCHEMBL10065041

C=C(C)C(=O)Nc1ccc(SNc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TAAR1 Q96RJ0 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HSD17B10 Q99714 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
POLB P06746 3/20 0.44
GPR174 Q9BXC1 1/20 0.43
TP53 P04637 2/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.43
CDK9 P50750 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL19501001 0.84 NPC1 (0.67) RXFP1TDP1KDM4EALDH1A1NPC1
SCHEMBL219147 0.83 KDM4E (0.66) RXFP1TDP1KDM4EALDH1A1NPC1
SCHEMBL201861 0.83 RXFP1 (0.54) RXFP1TDP1KDM4EALDH1A1NPC1
SCHEMBL166821 0.80 MAPT (0.67) RXFP1TDP1KDM4EALDH1A1NPC1
Dimethylamine SCHEMBL10625504 0.80 KDM4E (0.61) RXFP1TDP1KDM4EALDH1A1NPC1
SCHEMBL13446819 0.79 TDP1 (0.43) RXFP1TDP1KDM4EALDH1A1NPC1
Trimethylammonium SCHEMBL11436463 0.79 KDM4E (0.59) RXFP1TDP1KDM4EALDH1A1NPC1
SCHEMBL12464035 0.78 RAB9A (0.41) RXFP1TDP1KDM4EALDH1A1NPC1
SCHEMBL439393 0.78 RXFP1 (0.74) RXFP1TDP1KDM4EALDH1A1NPC1
SCHEMBL9011492 0.77 KDM4E (0.58) RXFP1TDP1KDM4EALDH1A1NPC1

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-8110338-B2 Heat-sensitive positive-working lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-02-07 US disclosed
US-20090170028-A1 HEAT-SENSITIVE POSITIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2009-07-02 US disclosed