SCHEMBL9000852

SCHEMBL9000852

COc1ccc(C(Sc2ccccc2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ LMNA P02545 5/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.46
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ADAM17 P78536 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HPGD P15428 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
SCHEMBL9000592 0.95 MAPT (0.44) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL9000815 0.91 MAPT (0.50) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL9000883 0.91 MAPT (0.41) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL9000530 0.91 MAPT (0.41) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL9000642 0.91 MAPT (0.41) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL9000950 0.88 MAPT (0.46) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL9000496 0.88 MAPT (0.44) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL9000802 0.88 MAPT (0.39) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL9000864 0.86 ALDH1A1 (0.49) MAPTNPSR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL9000398 0.86 EPHX1 (0.47) MAPTLMNASMN1; SMN2MEN1KMT2A

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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