SCHEMBL9000445

SCHEMBL9000445

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SOAT1 P35610 6/20 0.39
▸ ALDH1A1 P00352 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL9000745 0.95 EPHX1 (0.41) POLBEPHX1MAPTLMNAMEN1
SCHEMBL9000713 0.95 EPHX1 (0.43) POLBEPHX1MAPTLMNAMEN1
SCHEMBL9000651 0.93 SOAT1 (0.41) POLBEPHX1SOAT1ALDH1A1
SCHEMBL9000575 0.91 SOAT1 (0.39) MAPTMEN1KMT2ASOAT1ALDH1A1
SCHEMBL9000506 0.91 SOAT1 (0.39) POLBLMNASOAT1ALDH1A1
SCHEMBL9000497 0.91 EPHX1 (0.38) POLBEPHX1MAPTLMNAMEN1
SCHEMBL9000753 0.91 SOAT1 (0.39) POLBEPHX1MAPTLMNAMEN1
SCHEMBL9000677 0.90 EPHX1 (0.42) EPHX1MAPTSOAT1
SCHEMBL9000878 0.89 EPHX1 (0.41) EPHX1MAPTLMNAMEN1GAA
SCHEMBL9000458 0.89 EPHX1 (0.41) EPHX1MAPTLMNAMEN1GAA

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