SCHEMBL10019488

SCHEMBL10019488

CC(=S)COc1cccc2ccc(-c3nc4ccccc4s3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 12/20 0.41
KDM4E B2RXH2 6/20 0.41
GLA P06280 3/20 0.41
HSD17B10 Q99714 4/20 0.40
TP53 P04637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
HCRTR1 O43613 2/20 0.38

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
SCHEMBL10019487 0.89 NPC1 (0.49) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL867783 0.88 NPC1 (0.41) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL866806 0.86 NPC1 (0.40) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL867888 0.84 ATP4A (0.41) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL868332 0.84 KMT2A (0.46) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL867939 0.83 ATP4A (0.44) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL867655 0.82 TSHR (0.52) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL30171250 0.81 MAPT (0.56) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL28948316 0.81 MAPT (0.56) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL867286 0.80 TSHR (0.42) NPC1SMN1; SMN2RAB9AALDH1A1KMT2A

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-8377698-B2 8-hydroxyquinoline acetamide compound, 8-hydroxy quinoline thioamide compound and use thereof SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-02-19 US disclosed
US-20120077275-A1 NOVEL 8-HYDROXYQUINOLINE ACETAMIDE COMPOUND, 8-HYDROXY QUINOLINE THIOAMIDE COMPOUND AND USE THEREOF SAMSUNG ELECTRONICS CO.. LTD. (KR) 2012-03-29 US disclosed