SCHEMBL8344256

SCHEMBL8344256

CCC(CC)(CNC(=O)Nc1c(SC)cc(C)nc1SC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.43
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8340895 0.85 RXFP1 (0.36) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8343161 0.78 SOAT1 (0.45) SOAT1SMN1; SMN2ALDH1A1
SCHEMBL8523782 0.78 SOAT1 (0.41) SOAT1MAPK1ALDH1A1HTTMEN1
SCHEMBL9001010 0.77 SOAT1 (0.43) SOAT1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8340881 0.74 TP53 (0.47) SOAT1SMN1; SMN2LMNATP53HSD17B10
SCHEMBL8345165 0.73 TP53 (0.46) SOAT1SMN1; SMN2LMNATP53HSD17B10
SCHEMBL8339153 0.73 SOAT1 (0.38) SOAT1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL9000628 0.72 SOAT1 (0.45) SOAT1NPC1RAB9ALMNATP53
SCHEMBL8345179 0.71 SOAT1 (0.41) SOAT1
SCHEMBL6284260 0.71 ALDH1A1 (0.46) SOAT1SMN1; SMN2NPC1RAB9AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 — — US claimed
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 — — EP claimed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 — — WO claimed
US-6001860-A N-aryl and N-heteroarylurea derivatives as inhibitors of acyl coenzyme A: Cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1999-12-14 — — US disclosed
EP-0642498-A1 NEW $i(N)-ARYL AND $i(N)-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1995-03-15 — — EP disclosed
WO-1993024458-A1 NEW N-ARYL AND N-HETEROARYLUREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A:CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1993-12-09 — — WO disclosed
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