SCHEMBL9000623

SCHEMBL9000623

CSc1cc(C)nc(SC)c1-c1ccccc1NC(=O)C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ KMT2A Q03164 5/20 0.38
▸ PKM P14618 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ SOAT1 P35610 2/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL9411752 0.72 MAPT (0.49) MAPTLMNAMDM2KMT2APKM
SCHEMBL8980054 0.65 ALDH1A1 (0.70) MAPTKMT2APKMKDM4EHTT
SCHEMBL6286103 0.65 SOAT1 (0.41) KMT2AKDM4EALDH1A1MEN1SOAT1
SCHEMBL27479697 0.65 NPC1 (0.64) MAPTLMNAKDM4EHTTHSD17B10
SCHEMBL7434954 0.65 MAPT (0.42) MAPTLMNAMDM2KMT2APKM
SCHEMBL9000628 0.64 SOAT1 (0.45) MAPTLMNAKMT2AHTTHSD17B10
SCHEMBL32667998 0.64 CYP1A2 (0.50) KMT2AALDH1A1MEN1SOAT1RAB9A
SCHEMBL9000853 0.64 SOAT1 (0.42) MAPTLMNAKMT2AKDM4ENPSR1
SCHEMBL6284260 0.63 ALDH1A1 (0.46) MAPTKMT2AKDM4EHTTHSD17B10
SCHEMBL9001010 0.63 SOAT1 (0.43) LMNAKMT2AKDM4EHTTNPSR1

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
US-5583147-A INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-10 — — US disclosed
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