SCHEMBL9000701

SCHEMBL9000701

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 4/20 0.41
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ SOAT1 P35610 5/20 0.34
▸ POLB P06746 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ MET P08581 1/20 0.33
▸ FFAR2 O15552 1/20 0.33

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
SCHEMBL9000888 0.95 EPHX1 (0.44) EPHX1SCN9ASOAT1EGFRMET
SCHEMBL9000777 0.94 KMT2A (0.37) MEN1KMT2ACYP1A2SOAT1POLB
SCHEMBL9000604 0.91 EPHX1 (0.47) EPHX1MEN1KMT2ACYP1A2SCN9A
SCHEMBL9000831 0.91 TOP2A (0.37) MEN1KMT2ASOAT1POLBEGFR
SCHEMBL9000497 0.89 EPHX1 (0.38) EPHX1MEN1KMT2ASOAT1POLB
SCHEMBL9000753 0.89 SOAT1 (0.39) EPHX1MEN1KMT2ASOAT1POLB
SCHEMBL9000768 0.88 EPHX1 (0.41) EPHX1CYP1A2
SCHEMBL9000610 0.87 CTRC (0.39) MEN1KMT2ASOAT1POLB
SCHEMBL9000608 0.85 FNTA (0.37) EPHX1KMT2ASOAT1
SCHEMBL9000745 0.84 EPHX1 (0.41) EPHX1MEN1KMT2ASOAT1POLB

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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