SCHEMBL9000613

SCHEMBL9000613

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccc(Cl)cc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ GLI1 P08151 1/20 0.35
▸ GLI2 P10070 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SOAT1 P35610 2/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL9000673 0.94 SOAT1 (0.37) KMT2AMEN1CYP2D6GLI1GLI2
SCHEMBL9000579 0.94 KMT2A (0.35) LMNAKMT2AMEN1FNTAFNTB
SCHEMBL9000608 0.94 FNTA (0.37) LMNAKMT2AFNTAFNTBNPSR1
SCHEMBL9000460 0.90 EPHX1 (0.37) FNTAFNTBSOAT1GRM5EPHX1
SCHEMBL9000588 0.87 EPHX1 (0.38) LMNASOAT1GRM5EPHX1L3MBTL1
SCHEMBL9000753 0.87 SOAT1 (0.39) LMNAKMT2AMEN1NPSR1SOAT1
SCHEMBL9000777 0.86 KMT2A (0.37) LMNAKMT2AMEN1SOAT1
SCHEMBL9000651 0.84 SOAT1 (0.41) NPSR1SOAT1EPHX1
SCHEMBL9000768 0.84 EPHX1 (0.41) LMNAFNTAFNTBEPHX1L3MBTL1
SCHEMBL9000831 0.84 TOP2A (0.37) LMNAKMT2AMEN1NPSR1SOAT1

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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