SCHEMBL4690923

SCHEMBL4690923

COc1ccccc1C=C(NC(=O)C1CCCC1)C(=O)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 3/20 0.48
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 3/20 0.45
ALOX12 P18054 1/20 0.43
PKM P14618 1/20 0.42
MAPK1 P28482 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
SCHEMBL4687282 0.85 SMN1; SMN2 (0.54) SMN1; SMN2HPGDKMT2AALDH1A1MEN1
SCHEMBL4691022 0.85 SMN1; SMN2 (0.54) SMN1; SMN2HPGDKMT2AALDH1A1KDM4E
SCHEMBL4691019 0.85 SMN1; SMN2 (0.54) SMN1; SMN2HPGDKMT2AALDH1A1KDM4E
SCHEMBL4687279 0.85 SMN1; SMN2 (0.54) SMN1; SMN2HPGDKMT2AALDH1A1MEN1
SCHEMBL4688113 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HPGDKMT2AALDH1A1KDM4E
SCHEMBL4687943 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HPGDKMT2AALDH1A1KDM4E
SCHEMBL4687945 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HPGDKMT2AALDH1A1KDM4E
SCHEMBL4688110 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HPGDKMT2AALDH1A1KDM4E
SCHEMBL4688953 0.78 SMN1; SMN2 (0.49) SMN1; SMN2HPGDKMT2AALDH1A1L3MBTL1
SCHEMBL4688958 0.78 SMN1; SMN2 (0.49) SMN1; SMN2HPGDKMT2AALDH1A1L3MBTL1

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
EP-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 WO disclosed