SCHEMBL9000950

SCHEMBL9000950

CSc1cc(C)nc(SC)c1NC(=O)C(Sc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.46
▸ LMNA P02545 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.41
▸ TSHR P16473 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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 0.95 MAPT (0.42) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000815 0.93 MAPT (0.50) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000887 0.90 LMNA (0.39) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000496 0.90 MAPT (0.44) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL9000530 0.89 MAPT (0.41) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000883 0.89 MAPT (0.41) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000744 0.89 MAPT (0.38) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000852 0.88 MAPT (0.52) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000954 0.85 ALDH1A1 (0.51) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000445 0.85 POLB (0.43) 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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