SCHEMBL9000744

SCHEMBL9000744

CSc1cc(C)nc(SC)c1NC(=O)C(Sc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE2A O00408 6/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SOAT1 P35610 2/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL9000902 0.93 MAPT (0.42) MAPTLMNAMEN1GAAKMT2A
SCHEMBL9000802 0.90 MAPT (0.39) MAPTLMNAMEN1KMT2APDE2A
SCHEMBL9000887 0.89 LMNA (0.39) MAPTLMNAMEN1GAAKMT2A
SCHEMBL9000950 0.89 MAPT (0.46) MAPTLMNAMEN1GAAKMT2A
SCHEMBL9000883 0.87 MAPT (0.41) MAPTLMNAMEN1GAAKMT2A
SCHEMBL9000530 0.87 MAPT (0.41) MAPTLMNAMEN1GAAKMT2A
SCHEMBL9000733 0.86 PDE2A (0.40) MAPTLMNAMEN1GAAKMT2A
SCHEMBL9000592 0.82 MAPT (0.44) MAPTLMNAMEN1GAAKMT2A
SCHEMBL9000815 0.81 MAPT (0.50) MAPTLMNAMEN1GAAKMT2A
SCHEMBL9000677 0.80 EPHX1 (0.42) MAPTPDE2ANPSR1RECQLSOAT1

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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