SCHEMBL1077658

SCHEMBL1077658

CCC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 15/20 0.45
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6622396 1.00 BMP1 (0.45) BMP1TAS2R14ALDH1A1NPSR1SMN1; SMN2
SCHEMBL1077866 0.93 BMP1 (0.50) BMP1
SCHEMBL1078022 0.92 BMP1 (0.46) BMP1TAS2R14ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6685014 0.92 BMP1 (0.46) BMP1TAS2R14ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6679488 0.85 BMP1 (0.43) BMP1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL1039183 0.85 BMP1 (0.43) BMP1NPSR1
SCHEMBL1077690 0.85 BMP1 (0.43) BMP1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL1039459 0.85 BMP1 (0.45) BMP1NPSR1
SCHEMBL6622848 0.85 BMP1 (0.45) BMP1NPSR1
SCHEMBL1076810 0.84 BMP1 (0.53) BMP1

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
EP-1480941-B1 UREA DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC (CA) 2011-01-26 — — EP disclosed
US-6528532-B1 Benzenesulfonamide group PHARMACOR INC. (CA) 2003-03-04 — — US disclosed
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