SCHEMBL8343764

SCHEMBL8343764

COc1ccc(OC)c(C(C)(C)CCCCCNC(=O)Nc2c(SC)cc(C)nc2SC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ QPCT Q16769 1/20 0.34
▸ SOAT1 P35610 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8338759 0.86 KMT2A (0.35) KMT2AMEN1POLBMAPTSOAT1
SCHEMBL8338345 0.83 SOAT1 (0.36) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8523782 0.81 SOAT1 (0.41) KMT2AMEN1POLBHTTALDH1A1
SCHEMBL8341097 0.79 KMT2A (0.44) KMT2AMEN1POLBALDH1A1MTNR1A
SCHEMBL8339153 0.75 SOAT1 (0.38) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL8340821 0.74 KMT2A (0.36) KMT2AMEN1ALDH1A1CYP2C19
SCHEMBL8344420 0.73 KMT2A (0.36) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL8341093 0.70 KMT2A (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2SOAT1
SCHEMBL8343766 0.68 TAS1R3 (0.38) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL7734588 0.68 GRM2 (0.38) KMT2AMEN1MAPTHTTSMN1; 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 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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