SCHEMBL9000497

SCHEMBL9000497

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ SOAT1 P35610 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ MAPK14 Q16539 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
SCHEMBL9000777 0.95 KMT2A (0.37) TP53SOAT1MEN1KMT2APOLB
SCHEMBL9000745 0.95 EPHX1 (0.41) EPHX1ABCB1MAPTTP53SOAT1
SCHEMBL9000831 0.93 TOP2A (0.37) MAPTSOAT1MEN1KMT2APOLB
SCHEMBL9000671 0.91 EPHX1 (0.34) EPHX1MAPTSOAT1MEN1KMT2A
SCHEMBL9000445 0.91 POLB (0.43) EPHX1ABCB1MAPTSOAT1MEN1
SCHEMBL9000753 0.91 SOAT1 (0.39) EPHX1MAPTSOAT1MEN1KMT2A
SCHEMBL9000458 0.89 EPHX1 (0.41) EPHX1ABCB1MAPTMEN1KMT2A
SCHEMBL9000733 0.89 PDE2A (0.40) EPHX1ABCB1MAPTSOAT1MEN1
SCHEMBL9000878 0.89 EPHX1 (0.41) EPHX1ABCB1MAPTMEN1KMT2A
SCHEMBL9000713 0.89 EPHX1 (0.43) EPHX1MAPTSOAT1MEN1KMT2A

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
Send feedback