SCHEMBL9000671

SCHEMBL9000671

CSc1cc(C)nc(SC)c1NC(=O)C(SCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.34
▸ SOAT1 P35610 6/20 0.34
▸ CXCR2 P25025 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A2 P11168 1/20 0.31
▸ SLC2A3 P11169 1/20 0.31
▸ SLC2A4 P14672 1/20 0.31

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
SCHEMBL9000745 0.92 EPHX1 (0.41) EPHX1SOAT1POLBHTTRAB9A
SCHEMBL9000839 0.91 SOAT1 (0.38) SOAT1HTTMAPTMEN1LMNA
SCHEMBL9000497 0.91 EPHX1 (0.38) EPHX1SOAT1POLBHTTMAPT
SCHEMBL9000708 0.90 EPHX1 (0.38) EPHX1HTTPTGESMAPTMEN1
SCHEMBL9000445 0.87 POLB (0.43) EPHX1SOAT1POLBMAPTMEN1
SCHEMBL9000786 0.86 KMT2A (0.38) EPHX1POLBMAPTMEN1LMNA
SCHEMBL9000777 0.86 KMT2A (0.37) SOAT1POLBMEN1LMNAKMT2A
SCHEMBL9000458 0.86 EPHX1 (0.41) EPHX1HTTMAPTMEN1LMNA
SCHEMBL9000878 0.86 EPHX1 (0.41) EPHX1HTTMAPTMEN1LMNA
SCHEMBL9000733 0.86 PDE2A (0.40) EPHX1SOAT1MAPTMEN1LMNA

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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