SCHEMBL20788793

SCHEMBL20788793

COc1ccc2cc(C(=O)Nc3nc(C(C)(C)C)cs3)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.58
▸ RAB9A P51151 10/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ NPSR1 Q6W5P4 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ HTT P42858 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ HSD17B10 Q99714 3/20 0.57
▸ KMT2A Q03164 7/20 0.56
▸ HPGD P15428 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ TAS1R2 Q8TE23 1/20 0.51
▸ MEN1 O00255 6/20 0.49
▸ POLB P06746 2/20 0.47

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
SCHEMBL20787912 0.84 NPC1 (0.60) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL20769725 0.82 RAB9A (0.65) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL77204 0.80 SMN1; SMN2 (0.70) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL20769658 0.77 RAB9A (0.60) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL77635 0.76 KMT2A (0.70) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL31207841 0.75 HDAC1 (0.56) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL1098993 0.75 HDAC1 (0.56) NPC1RAB9AKDM4EALDH1A1HTT
SCHEMBL20769730 0.75 NPC1 (0.58) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL20769713 0.75 NPC1 (0.57) NPC1RAB9AKDM4EALDH1A1NPSR1
SCHEMBL11178135 0.74 ALDH1A1 (0.56) NPC1RAB9AKDM4EALDH1A1LMNA

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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