SCHEMBL9000419

SCHEMBL9000419

CSc1cc(C)nc(SC)c1NC(=O)C(F)(F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.41
▸ GRM5 P41594 2/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ SORT1 Q99523 3/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NTRK1 P04629 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
SCHEMBL9000550 0.89 SORT1 (0.40) SOAT1SORT1KMT2ALMNANTRK1
SCHEMBL9000766 0.87 SOAT1 (0.38) SOAT1SORT1MEN1KMT2A
SCHEMBL9000743 0.87 SOAT1 (0.38) SOAT1SORT1MEN1KMT2APOLB
SCHEMBL9001013 0.85 MAPT (0.42) SOAT1MEN1KMT2A
SCHEMBL9000644 0.81 PLK1 (0.38) SOAT1MEN1KMT2ALMNANPC1
SCHEMBL9001010 0.81 SOAT1 (0.43) SOAT1MEN1KMT2ALMNANPC1
SCHEMBL9000583 0.81 KDM1A (0.37) SOAT1DHODHHDAC1HDAC8HDAC6
SCHEMBL9000669 0.79 GRM5 (0.43) SOAT1GRM5HDAC1HDAC8HDAC6
SCHEMBL9000652 0.76 SOAT1 (0.40) SOAT1MEN1KMT2ANPC1RAB9A
SCHEMBL9000682 0.74 SOAT1 (0.40) SOAT1RAB9A

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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