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Sugi Predict / Compounds / SCHEMBL9000460

SCHEMBL9000460

SCHEMBL9000460

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccccc1)c1cccc(Oc2ccc(Br)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.37
▸ FNTA P49354 2/20 0.37
▸ FNTB P49356 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ SOAT1 P35610 5/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ GRM5 P41594 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 0.95 SOAT1 (0.37) EPHX1SOAT1GRM5
SCHEMBL9000579 0.93 KMT2A (0.35) EPHX1FNTAFNTBSOAT1
SCHEMBL9000588 0.90 EPHX1 (0.38) EPHX1ALDH1A1SOAT1GRM5
SCHEMBL9000613 0.90 LMNA (0.36) EPHX1FNTAFNTBHPGDSOAT1
SCHEMBL9000727 0.86 SOAT1 (0.40) FNTAFNTBSOAT1
SCHEMBL9000651 0.85 SOAT1 (0.41) EPHX1ALDH1A1SOAT1
SCHEMBL9000608 0.85 FNTA (0.37) EPHX1FNTAFNTBHPGDSOAT1
SCHEMBL9000398 0.83 EPHX1 (0.47) EPHX1SOAT1
SCHEMBL9000692 0.82 SOAT1 (0.46) SOAT1
SCHEMBL9000825 0.81 GLI1 (0.39) SOAT1GRM5

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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