SCHEMBL9000652

SCHEMBL9000652

CSc1cc(C)nc(SC)c1NC(=O)C(F)(F)c1ccccc1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTGES O14684 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CD38 P28907 1/20 0.32

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
SCHEMBL9000419 0.76 SOAT1 (0.41) SOAT1NPC1RAB9AMEN1KMT2A
SCHEMBL9000550 0.76 SORT1 (0.40) SOAT1TSHRKMT2A
SCHEMBL9000743 0.74 SOAT1 (0.38) SOAT1RAB9AMEN1KMT2A
SCHEMBL9000766 0.74 SOAT1 (0.38) SOAT1MEN1CYP1A2HPGDKMT2A
SCHEMBL9001010 0.72 SOAT1 (0.43) SOAT1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL9000644 0.71 PLK1 (0.38) SOAT1TSHRNPC1RAB9AMEN1
SCHEMBL9000682 0.69 SOAT1 (0.40) SOAT1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL4492754 0.68 SOAT1 (0.47) SOAT1ALDH1A1KDM4EMEN1CYP1A2
SCHEMBL32667998 0.68 CYP1A2 (0.50) SOAT1ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL8343161 0.68 SOAT1 (0.45) SOAT1ALDH1A1SMN1; SMN2

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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