SCHEMBL9000592

SCHEMBL9000592

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ ADAM17 P78536 1/20 0.43
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ PRNP P04156 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL9000530 0.95 MAPT (0.41) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9000883 0.95 MAPT (0.41) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9000642 0.95 MAPT (0.41) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9000852 0.95 MAPT (0.52) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9000802 0.93 MAPT (0.39) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9000902 0.88 MAPT (0.42) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL9000423 0.85 EPHX1 (0.44) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9000815 0.85 MAPT (0.50) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL9000887 0.83 LMNA (0.39) MAPTLMNASMN1; SMN2NPSR1MEN1
SCHEMBL9000496 0.83 MAPT (0.44) MAPTLMNAALDH1A1HTTSMN1; SMN2

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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