SCHEMBL9001013

SCHEMBL9001013

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CSNK1D P48730 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SOAT1 P35610 5/20 0.37
▸ THRB P10828 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
SCHEMBL9000550 0.89 SORT1 (0.40) KMT2ASOAT1
SCHEMBL9000772 0.87 MAPT (0.43) MAPTKDM4EPPARGSOAT1
SCHEMBL9000766 0.87 SOAT1 (0.38) MEN1KMT2ACYP3A4SOAT1
SCHEMBL9000743 0.87 SOAT1 (0.38) MAPTMEN1KMT2ASOAT1
SCHEMBL9000419 0.85 SOAT1 (0.41) MEN1KMT2ASOAT1
SCHEMBL9000644 0.81 PLK1 (0.38) MEN1KMT2AMAPK1SOAT1
SCHEMBL9000875 0.81 ABL1 (0.40) MAPTKDM4EMEN1RECQLKMT2A
SCHEMBL9000573 0.79 MAPT (0.47) MAPTKDM4EMEN1RECQLKMT2A
SCHEMBL9000802 0.78 MAPT (0.39) MAPTKDM4EMEN1RECQLKMT2A
SCHEMBL9000864 0.74 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1NPSR1

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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