SCHEMBL20791865

SCHEMBL20791865

CC(C)c1csc(NC(=O)c2cc3c(s2)CCCC3)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.73
▸ NPC1 O15118 13/20 0.73
▸ RAB9A P51151 13/20 0.73
▸ KMT2A Q03164 8/20 0.73
▸ MEN1 O00255 7/20 0.73
▸ LMNA P02545 5/20 0.73
▸ STAT3 P40763 1/20 0.73
▸ STAT1 P42224 1/20 0.73
▸ ATM Q13315 1/20 0.73
▸ SMN1; SMN2 Q16637 12/20 0.71
▸ HPGD P15428 10/20 0.71
▸ KDM4E B2RXH2 5/20 0.71
▸ MAPT P10636 4/20 0.71
▸ HTT P42858 2/20 0.71
▸ NFKB1 P19838 4/20 0.69
▸ NFKB2 Q00653 4/20 0.69
▸ RELA Q04206 4/20 0.69
▸ TP53 P04637 2/20 0.69
▸ MAPK1 P28482 3/20 0.61
▸ POLB P06746 3/20 0.61

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
SCHEMBL20787904 0.82 NPC1 (0.74) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20791867 0.81 ALDH1A1 (0.75) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20791870 0.80 NPC1 (0.74) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20791863 0.80 ALDH1A1 (0.73) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20791864 0.79 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL17660254 0.77 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL17660285 0.75 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20788544 0.73 NPC1 (0.61) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL16384137 0.73 ALDH1A1 (0.67) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL20788542 0.73 NPC1 (0.60) ALDH1A1NPC1RAB9AKMT2AMEN1

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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