SCHEMBL8345849

SCHEMBL8345849

CSc1cc(C)nc(SC)c1NC(=O)NCC(CCc1ccccc1)c1cc(C)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.40
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ATM Q13315 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
SCHEMBL8340893 0.95 KMT2A (0.39) SOAT1POLBMEN1KMT2ALMNA
SCHEMBL8344851 0.86 SOAT1 (0.38) SOAT1MAPTLMNAEPHX2ALDH1A1
SCHEMBL8338705 0.85 SOAT1 (0.37) SOAT1MAPTEPHX2ALDH1A1
SCHEMBL8344370 0.85 SOAT1 (0.37) SOAT1MEN1KMT2AALDH1A1
SCHEMBL8344880 0.85 SOAT1 (0.37) SOAT1MAPTEPHX2ALDH1A1
SCHEMBL8344016 0.83 KMT2A (0.40) SOAT1POLBMEN1KMT2AMAPT
SCHEMBL8343733 0.83 KMT2A (0.38) POLBMEN1KMT2AMAPTLMNA
SCHEMBL7771363 0.82 KMT2A (0.39) POLBMEN1KMT2AMAPTLMNA
SCHEMBL8345179 0.81 SOAT1 (0.41) SOAT1
SCHEMBL8338312 0.80 SOAT1 (0.37) SOAT1POLBMAPTALDH1A1CYP2C9

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 2 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 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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