SCHEMBL8523782

SCHEMBL8523782

CSc1cc(C)nc(SC)c1NC(=O)NCCCCCC(C)(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ EPHX1 P07099 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL8343995 0.89 SOAT1 (0.40) SOAT1EPHX1ALDH1A1HTTKMT2A
SCHEMBL8338345 0.85 SOAT1 (0.36) SOAT1ALDH1A1KMT2AMEN1POLB
SCHEMBL8339153 0.83 SOAT1 (0.38) SOAT1EPHX1ALDH1A1HTTKMT2A
SCHEMBL8338759 0.82 KMT2A (0.35) SOAT1KMT2AMEN1POLB
SCHEMBL8344256 0.78 SOAT1 (0.43) SOAT1MAPK1ALDH1A1HTTKMT2A
SCHEMBL8343161 0.75 SOAT1 (0.45) SOAT1ALDH1A1POLB
SCHEMBL9001010 0.74 SOAT1 (0.43) SOAT1ALDH1A1HTTKMT2AMEN1
SCHEMBL8340881 0.71 TP53 (0.47) SOAT1
SCHEMBL8322248 0.71 SOAT1 (0.49) SOAT1ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL8345165 0.71 TP53 (0.46) SOAT1KMT2AMEN1

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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