SCHEMBL9000902

SCHEMBL9000902

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ LMNA P02545 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ SOAT1 P35610 6/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL9000887 0.95 LMNA (0.39) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000950 0.95 MAPT (0.46) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000530 0.93 MAPT (0.41) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000883 0.93 MAPT (0.41) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000744 0.93 MAPT (0.38) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000592 0.88 MAPT (0.44) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000815 0.87 MAPT (0.50) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000745 0.85 EPHX1 (0.41) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000496 0.85 MAPT (0.44) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL9000642 0.83 MAPT (0.41) MAPTLMNAMEN1KMT2AGAA

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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