SCHEMBL9000883

SCHEMBL9000883

COc1ccc(C(Sc2ccc(F)cc2)C(=O)Nc2c(SC)cc(C)nc2SC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ LMNA P02545 7/20 0.41
▸ HTT P42858 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ADAM17 P78536 1/20 0.40
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CRHBP P24387 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
SCHEMBL9000530 1.00 MAPT (0.41) MAPTLMNAHTTALDH1A1NPSR1
SCHEMBL9000592 0.95 MAPT (0.44) MAPTLMNAHTTALDH1A1NPSR1
SCHEMBL9000902 0.93 MAPT (0.42) MAPTLMNAMEN1KMT2AGAA
SCHEMBL9000642 0.91 MAPT (0.41) MAPTLMNAHTTALDH1A1NPSR1
SCHEMBL9000852 0.91 MAPT (0.52) MAPTLMNAHTTALDH1A1NPSR1
SCHEMBL9000802 0.90 MAPT (0.39) MAPTLMNAHTTALDH1A1NPSR1
SCHEMBL9000887 0.89 LMNA (0.39) MAPTLMNANPSR1SMN1; SMN2MEN1
SCHEMBL9000950 0.89 MAPT (0.46) MAPTLMNAHTTALDH1A1NPSR1
SCHEMBL9000744 0.87 MAPT (0.38) MAPTLMNAALDH1A1NPSR1MEN1
SCHEMBL9000878 0.86 EPHX1 (0.41) MAPTLMNAHTTALDH1A1NPSR1

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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