SCHEMBL9000642

SCHEMBL9000642

COc1ccc(SC(C(=O)Nc2c(SC)cc(C)nc2SC)c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 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
SCHEMBL9000592 0.95 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9000530 0.91 MAPT (0.41) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9000883 0.91 MAPT (0.41) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9000852 0.91 MAPT (0.52) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9000887 0.89 LMNA (0.39) MAPTLMNASMN1; SMN2NPSR1TRPA1
SCHEMBL9000496 0.89 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9000802 0.88 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL9000768 0.86 EPHX1 (0.41) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL9000729 0.86 EPHX1 (0.41) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL9000902 0.83 MAPT (0.42) MAPTLMNAMEN1KMT2ATDP1

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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