SCHEMBL20787904

SCHEMBL20787904

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 14/20 0.74
▸ RAB9A P51151 14/20 0.74
▸ ALDH1A1 P00352 14/20 0.74
▸ LMNA P02545 8/20 0.74
▸ KMT2A Q03164 6/20 0.74
▸ MEN1 O00255 5/20 0.74
▸ STAT3 P40763 1/20 0.74
▸ STAT1 P42224 1/20 0.74
▸ ATM Q13315 1/20 0.74
▸ SMN1; SMN2 Q16637 10/20 0.73
▸ HPGD P15428 9/20 0.73
▸ KDM4E B2RXH2 6/20 0.73
▸ MAPT P10636 5/20 0.73
▸ HTT P42858 4/20 0.73
▸ NFKB1 P19838 3/20 0.71
▸ NFKB2 Q00653 3/20 0.71
▸ RELA Q04206 3/20 0.71
▸ TP53 P04637 2/20 0.71
▸ NPSR1 Q6W5P4 5/20 0.59
▸ POLB P06746 3/20 0.59

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
SCHEMBL20791867 0.99 ALDH1A1 (0.75) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL20791870 0.98 NPC1 (0.74) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL20788798 0.84 NPC1 (0.54) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL20791865 0.82 ALDH1A1 (0.73) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL20788800 0.82 HDAC6 (0.53) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL20787907 0.82 NPC1 (0.56) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL20791863 0.81 ALDH1A1 (0.73) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL20791864 0.80 ALDH1A1 (0.69) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL20787909 0.77 KMT2A (0.59) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL20787902 0.77 NPC1 (0.57) NPC1RAB9AALDH1A1LMNAKMT2A

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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