SCHEMBL27649898

SCHEMBL27649898

CC(C)c1sc(NC=O)nc1-c1nc2ccccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.39
▸ RAB9A P51151 8/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ HPGD P15428 7/20 0.39
▸ MAPT P10636 6/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ GAA P10253 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ USP2 O75604 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSD17B10 Q99714 5/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ TP53 P04637 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL1716208 0.77 MAPT (0.44) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL1716511 0.69 PSEN1 (0.53) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL29531707 0.66 NPC1 (0.69) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL824375 0.66 NPC1 (0.69) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL6591400 0.66 NPC1 (0.56) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL28958196 0.65 KDM4E (0.60) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL15606216 0.63 TOP2A (0.51) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL543954 0.63 IDO1 (0.59) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL1102401 0.63 NPC1 (0.68) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL28265560 0.63 ALDH1A1 (0.51) NPC1RAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1910165-A Acylaminothiazole derivatives and their use as beta-amyloid inhibitors SANOFI AVENTIS (FR) 2007-02-07 — — CN disclosed
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