SCHEMBL8339209

SCHEMBL8339209

CCC(CC)(CNC(=O)Nc1c(SC)cc(C)nc1SC)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.42
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 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
SCHEMBL8344256 0.88 SOAT1 (0.43) SOAT1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL8339153 0.81 SOAT1 (0.38) SOAT1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL8343995 0.79 SOAT1 (0.40) SOAT1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL8343161 0.75 SOAT1 (0.45) SOAT1SMN1; SMN2ALDH1A1
SCHEMBL8345179 0.74 SOAT1 (0.41) SOAT1
SCHEMBL8340895 0.73 RXFP1 (0.36) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8338345 0.71 SOAT1 (0.36) SOAT1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8340881 0.71 TP53 (0.47) SOAT1LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL8523782 0.71 SOAT1 (0.41) SOAT1ALDH1A1MEN1KMT2AHTT
SCHEMBL8345165 0.70 TP53 (0.46) SOAT1LMNASMN1; SMN2MEN1KMT2A

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 3 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
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
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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