SCHEMBL9000745

SCHEMBL9000745

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.41
▸ HTT P42858 1/20 0.37
▸ SOAT1 P35610 6/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ MET P08581 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ABCB1 P08183 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
SCHEMBL9000497 0.95 EPHX1 (0.38) EPHX1HTTSOAT1MEN1KMT2A
SCHEMBL9000445 0.95 POLB (0.43) EPHX1SOAT1MEN1KMT2AMAPT
SCHEMBL9000733 0.94 PDE2A (0.40) EPHX1SOAT1MEN1KMT2AMAPT
SCHEMBL9000713 0.94 EPHX1 (0.43) EPHX1HTTSOAT1MEN1KMT2A
SCHEMBL9000878 0.94 EPHX1 (0.41) EPHX1HTTMEN1KMT2AMAPT
SCHEMBL9000458 0.94 EPHX1 (0.41) EPHX1HTTMEN1KMT2AMAPT
SCHEMBL9000671 0.92 EPHX1 (0.34) EPHX1HTTSOAT1MEN1KMT2A
SCHEMBL9000786 0.90 KMT2A (0.38) EPHX1MEN1KMT2AMAPTPOLB
SCHEMBL9000777 0.90 KMT2A (0.37) SOAT1MEN1KMT2APOLBLMNA
SCHEMBL9000423 0.88 EPHX1 (0.44) EPHX1SOAT1MEN1KMT2AMAPT

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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