SCHEMBL9000450

SCHEMBL9000450

CSc1cc(C)nc(SC)c1NC(=O)C(Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.41
▸ HDAC3 O15379 3/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36

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
SCHEMBL9000513 0.91 SOAT1 (0.41) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000758 0.90 SOAT1 (0.41) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000612 0.89 GCGR (0.44) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000599 0.89 SOAT1 (0.40) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000409 0.89 TRPV1 (0.40) SOAT1TRPV1MEN1MAPTKMT2A
SCHEMBL9000846 0.87 SOAT1 (0.40) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000798 0.85 QPCT (0.49) SOAT1MEN1LMNAMAPTKMT2A
SCHEMBL9000954 0.85 ALDH1A1 (0.51) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000445 0.85 POLB (0.43) SOAT1MEN1LMNAGAAMAPT
SCHEMBL9000825 0.83 GLI1 (0.39) SOAT1MEN1KMT2A

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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