SCHEMBL9000550

SCHEMBL9000550

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 4/20 0.40
▸ SOAT1 P35610 6/20 0.39
▸ PHGDH O43175 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ NTRK2 Q16620 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
SCHEMBL9000766 0.91 SOAT1 (0.38) SORT1SOAT1KMT2A
SCHEMBL9000743 0.91 SOAT1 (0.38) SORT1SOAT1KMT2ATP53
SCHEMBL9000419 0.89 SOAT1 (0.41) SORT1SOAT1LMNAKMT2ANTRK1
SCHEMBL9000644 0.85 PLK1 (0.38) SOAT1LMNATSHRKMT2A
SCHEMBL9000590 0.84 PHGDH (0.40) SORT1SOAT1PHGDHLMNAKMT2A
SCHEMBL9001010 0.77 SOAT1 (0.43) SOAT1LMNAKMT2ANTRK1
SCHEMBL9000775 0.76 SORT1 (0.36) SORT1PHGDH
SCHEMBL9000652 0.76 SOAT1 (0.40) SOAT1TSHRKMT2A
SCHEMBL9000744 0.76 MAPT (0.38) SOAT1LMNAKMT2ANTRK1NTRK2
SCHEMBL32667998 0.75 CYP1A2 (0.50) SOAT1KMT2A

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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