SCHEMBL10019487

SCHEMBL10019487

CC(=O)COc1cccc2ccc(-c3nc4ccccc4s3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 6/20 0.42
LMNA P02545 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MIF P14174 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL10019488 0.89 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL868332 0.88 KMT2A (0.46) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL867655 0.86 TSHR (0.52) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL30171250 0.86 MAPT (0.56) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL28948316 0.86 MAPT (0.56) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL867286 0.84 TSHR (0.42) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL867783 0.84 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL867473 0.83 ATP4A (0.44) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL866806 0.82 NPC1 (0.40) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL867888 0.80 ATP4A (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53

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