SCHEMBL9000758

SCHEMBL9000758

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.41
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ PRCP P42785 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 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 0.93 SOAT1 (0.41) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000846 0.90 SOAT1 (0.40) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000450 0.90 SOAT1 (0.41) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000612 0.89 GCGR (0.44) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000409 0.89 TRPV1 (0.40) SOAT1KMT2AMAPTMEN1NPC1
SCHEMBL9000599 0.89 SOAT1 (0.40) SOAT1HDAC3HDAC1HDAC4HDAC8
SCHEMBL9000798 0.85 QPCT (0.49) SOAT1LMNAKMT2AMAPTMEN1
SCHEMBL9000505 0.85 SMN1; SMN2 (0.51) SOAT1HDAC4LMNAKMT2AMAPT
SCHEMBL9000753 0.85 SOAT1 (0.39) SOAT1LMNAKMT2AMAPTPRCP
SCHEMBL9000825 0.83 GLI1 (0.39) SOAT1KMT2AMEN1

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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