SCHEMBL8341100

SCHEMBL8341100

CCC(c1cc(OC)ccc1OC)C(NC(=O)Nc1c(SC)cc(C)nc1SC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ SOAT1 P35610 4/20 0.36
▸ PRNP P04156 1/20 0.36
▸ HTT P42858 1/20 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
SCHEMBL8341093 0.77 KMT2A (0.37) MEN1KMT2AALDH1A1SMN1; SMN2SOAT1
SCHEMBL8343766 0.77 TAS1R3 (0.38) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8344420 0.75 KMT2A (0.36) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8340821 0.74 KMT2A (0.36) MEN1KMT2AALDH1A1LMNA
SCHEMBL9000864 0.73 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL8341097 0.71 KMT2A (0.44) MEN1KMT2AALDH1A1SOAT1
SCHEMBL8343161 0.71 SOAT1 (0.45) ALDH1A1SMN1; SMN2SOAT1
SCHEMBL9000798 0.70 QPCT (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8344258 0.69 SOAT1 (0.41) LMNATAS1R3TAS1R1SOAT1
SCHEMBL9000787 0.69 LMNA (0.46) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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 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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