SCHEMBL9000614

SCHEMBL9000614

CSc1cc(C)nc(SC)c1NC(=O)C(F)(F)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9000803 0.90 SOAT1 (0.37) SOAT1
SCHEMBL9000682 0.84 SOAT1 (0.40) SOAT1ALDH1A1NPSR1RAB9AKDM4E
SCHEMBL9000515 0.84 SOAT1 (0.36) SOAT1KDM4EHPGD
SCHEMBL9000583 0.80 KDM1A (0.37) SOAT1ALDH1A1KDM4EHPGD
SCHEMBL9000550 0.74 SORT1 (0.40) SOAT1TSHR
SCHEMBL32667998 0.73 CYP1A2 (0.50) SOAT1ALDH1A1RAB9APOLBSMN1; SMN2
SCHEMBL9000766 0.73 SOAT1 (0.38) SOAT1HPGD
SCHEMBL9000743 0.73 SOAT1 (0.38) SOAT1GAARAB9APOLBMAPT
SCHEMBL9001013 0.71 MAPT (0.42) SOAT1ALDH1A1NPSR1KDM4EMAPT
SCHEMBL9005392 0.71 SOAT1 (0.41) SOAT1NPC1ALDH1A1GAANPSR1

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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