SCHEMBL20787903

SCHEMBL20787903

CC(C)(C)c1csc(NC(=O)c2ccc(Br)s2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.74
▸ RAB9A P51151 8/20 0.74
▸ LMNA P02545 7/20 0.74
▸ HTT P42858 6/20 0.74
▸ KDM4E B2RXH2 5/20 0.74
▸ NPSR1 Q6W5P4 4/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ MAPT P10636 4/20 0.74
▸ HSD17B10 Q99714 2/20 0.73
▸ MEN1 O00255 10/20 0.70
▸ KMT2A Q03164 10/20 0.70
▸ CASP3 P42574 2/20 0.70
▸ SENP8 Q96LD8 2/20 0.70
▸ SENP7 Q9BQF6 2/20 0.70
▸ SENP6 Q9GZR1 2/20 0.70
▸ MAPK1 P28482 3/20 0.68
▸ TSHR P16473 2/20 0.68
▸ HPGD P15428 2/20 0.68
▸ ALOX15 P16050 1/20 0.68
▸ SMN1; SMN2 Q16637 6/20 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
SCHEMBL20787910 0.84 NPC1 (1.00) NPC1RAB9ALMNAHTTKDM4E
SCHEMBL20787900 0.82 NPC1 (0.63) NPC1RAB9ALMNAHTTKDM4E
SCHEMBL20787908 0.81 NPC1 (0.64) NPC1RAB9ALMNAHTTKDM4E
SCHEMBL12296355 0.81 NPC1 (1.00) NPC1RAB9ALMNAHTTKDM4E
SCHEMBL20791856 0.81 NPC1 (0.70) NPC1RAB9ALMNAHTTKDM4E
SCHEMBL20788014 0.80 NPC1 (0.68) NPC1RAB9ALMNAHTTKDM4E
SCHEMBL20787912 0.79 NPC1 (0.60) NPC1RAB9ALMNAHTTKDM4E
SCHEMBL20769658 0.79 RAB9A (0.60) NPC1RAB9ALMNAHTTKDM4E
SCHEMBL16434470 0.78 LMNA (0.71) NPC1RAB9ALMNAHTTKDM4E
SCHEMBL20788000 0.78 NPC1 (0.65) NPC1RAB9ALMNAHTTKDM4E

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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