SCHEMBL9000831

SCHEMBL9000831

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.37
▸ SOAT1 P35610 6/20 0.35
▸ ANXA2 P07355 1/20 0.35
▸ S100A10 P60903 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MET P08581 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ FFAR2 O15552 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ GPR139 Q6DWJ6 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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 0.97 KMT2A (0.37) SOAT1KMT2AMEN1POLBEGFR
SCHEMBL9000753 0.93 SOAT1 (0.39) SOAT1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL9000506 0.91 SOAT1 (0.39) SOAT1POLBSMN1; SMN2RAB9ALMNA
SCHEMBL9000768 0.91 EPHX1 (0.41) SMN1; SMN2LMNAMAPT
SCHEMBL9000701 0.91 EPHX1 (0.41) SOAT1KMT2AMEN1POLBEGFR
SCHEMBL9000610 0.90 CTRC (0.39) SOAT1KMT2AMEN1POLBRAB9A
SCHEMBL9000608 0.89 FNTA (0.37) SOAT1KMT2ALMNANPSR1
SCHEMBL9000745 0.87 EPHX1 (0.41) SOAT1KMT2AMEN1POLBEGFR
SCHEMBL9000722 0.87 SMN1; SMN2 (0.36) SMN1; SMN2RAB9ALMNAMAPT
SCHEMBL9000511 0.86 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2RAB9ALMNA

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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