SCHEMBL9000753

SCHEMBL9000753

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.39
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ PRCP P42785 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ EPHX1 P07099 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
SCHEMBL9000777 0.95 KMT2A (0.37) SOAT1KMT2AMEN1POLBLMNA
SCHEMBL9000506 0.93 SOAT1 (0.39) SOAT1POLBLMNAALDH1A1RAB9A
SCHEMBL9000651 0.93 SOAT1 (0.41) SOAT1POLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL9000831 0.93 TOP2A (0.37) SOAT1KMT2AMEN1POLBLMNA
SCHEMBL9000608 0.92 FNTA (0.37) SOAT1KMT2ALMNANPSR1EPHX1
SCHEMBL9000575 0.91 SOAT1 (0.39) SOAT1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9000497 0.91 EPHX1 (0.38) SOAT1KMT2AMEN1POLBLMNA
SCHEMBL9000839 0.91 SOAT1 (0.38) SOAT1KMT2AMEN1LMNAALDH1A1
SCHEMBL9000445 0.91 POLB (0.43) SOAT1KMT2AMEN1POLBLMNA
SCHEMBL9000701 0.89 EPHX1 (0.41) SOAT1KMT2AMEN1POLBEPHX1

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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