SCHEMBL9000802

SCHEMBL9000802

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDE2A O00408 8/20 0.39
▸ ADAM17 P78536 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ANXA2 P07355 1/20 0.37
▸ S100A10 P60903 1/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ PPARD Q03181 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 0.93 MAPT (0.44) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9000883 0.90 MAPT (0.41) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9000744 0.90 MAPT (0.38) MAPTLMNAALDH1A1NPSR1PDE2A
SCHEMBL9000530 0.90 MAPT (0.41) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9000642 0.88 MAPT (0.41) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9000852 0.88 MAPT (0.52) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9000593 0.87 PDE2A (0.43) MAPTALDH1A1PDE2AANXA2S100A10
SCHEMBL9000902 0.83 MAPT (0.42) MAPTLMNAMEN1KMT2A
SCHEMBL9000423 0.79 EPHX1 (0.44) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9000887 0.79 LMNA (0.39) MAPTLMNASMN1; SMN2NPSR1MEN1

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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