SCHEMBL8340893

SCHEMBL8340893

CSc1cc(C)nc(SC)c1NC(=O)NCC(CCCc1ccccc1)c1cc(C)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ SOAT1 P35610 6/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ LMNA P02545 2/20 0.36

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
SCHEMBL8345849 0.95 SOAT1 (0.40) KMT2AMEN1SOAT1ALDH1A1CYP1A2
SCHEMBL8344016 0.89 KMT2A (0.40) KMT2AMEN1SOAT1ALDH1A1CYP1A2
SCHEMBL8344851 0.88 SOAT1 (0.38) SOAT1ALDH1A1LMNA
SCHEMBL8343733 0.88 KMT2A (0.38) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8344370 0.88 SOAT1 (0.37) KMT2AMEN1SOAT1ALDH1A1
SCHEMBL8338705 0.88 SOAT1 (0.37) SOAT1ALDH1A1
SCHEMBL8344880 0.87 SOAT1 (0.37) SOAT1ALDH1A1
SCHEMBL7771363 0.86 KMT2A (0.39) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8345179 0.83 SOAT1 (0.41) SOAT1
SCHEMBL8338312 0.82 SOAT1 (0.37) SOAT1ALDH1A1CYP2C9POLB

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 7 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
US-5948903-A Synthesis of 3-deazapurines ISIS PHARMACEUTICALS, INC. (US) 1999-09-07 — — 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
Send feedback