SCHEMBL27934612

SCHEMBL27934612

NC(=O)C(C=Cc1ccccc1)c1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCCc3ccc(C(=O)O)cc3)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 7/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL3303804 0.72 TP53 (0.54) MAPTMEN1KMT2ATP53POLB
SCHEMBL3309193 0.69 MAPT (0.63) MAPTMEN1KMT2ATP53POLB
SCHEMBL3311352 0.67 MAPT (0.60) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL3316373 0.67 TP53 (0.53) MAPTMEN1KMT2ATP53POLB
SCHEMBL3309188 0.65 S1PR2 (0.66) TP53
SCHEMBL24031014 0.65 PGR (0.65)
SCHEMBL24030796 0.64 HDAC1 (0.77)
SCHEMBL3307423 0.64 S1PR2 (0.57) MAPTMEN1KMT2ATP53POLB
SCHEMBL13332657 0.63 TP53 (0.53) MAPTMEN1KMT2ATP53POLB
SCHEMBL13241824 0.63 POLB (0.62) MAPTTP53POLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101622234-B Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG 2013-08-07 CN claimed