SCHEMBL20788798

SCHEMBL20788798

CC(C)(C)c1csc(NC(=O)c2cc3c(s2)CCNC3)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.54
▸ RAB9A P51151 11/20 0.54
▸ LMNA P02545 7/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ HTT P42858 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HPGD P15428 4/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TP53 P04637 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ STAT1 P42224 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.53

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
SCHEMBL20791870 0.84 NPC1 (0.74) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL20787904 0.84 NPC1 (0.74) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL20791867 0.83 ALDH1A1 (0.75) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL20788800 0.78 HDAC6 (0.53) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL20787907 0.78 NPC1 (0.56) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL20788797 0.75 HDAC6 (0.49) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL28533972 0.74 PNMT (0.70) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL977061 0.72 PNMT (0.70) NPC1RAB9AALDH1A1KDM4ENPSR1
SCHEMBL20787900 0.72 NPC1 (0.63) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL19086177 0.72 PNMT (0.58) NPC1RAB9ALMNAALDH1A1KDM4E

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
WO-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 — — WO disclosed
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