SCHEMBL15929083

SCHEMBL15929083

COc1cc([N+](=O)[O-])ccc1-n1cccc(C(C(=O)O)C(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
EPHX1 P07099 1/20 0.39

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
SCHEMBL15929082 1.00 HTT (0.41) HTTPKMALDH1A1KMT2ALMNA
SCHEMBL14914787 0.88 ALDH1A1 (0.41) HTTPKMALDH1A1KMT2ALMNA
SCHEMBL2594464 0.80 GAA (0.47) HTTPKMALDH1A1KMT2ALMNA
SCHEMBL2477846 0.79 HTT (0.47) HTTPKMALDH1A1KMT2ALMNA
SCHEMBL2473208 0.78 GAA (0.43) HTTPKMALDH1A1KMT2ALMNA
SCHEMBL2473594 0.76 HTT (0.44) HTTPKMALDH1A1KMT2ALMNA
SCHEMBL15929085 0.76 MAPT (0.36) HTTALDH1A1KMT2ALMNAMEN1
SCHEMBL3681334 0.76 HTT (0.43) HTTPKMALDH1A1KMT2ALMNA
SCHEMBL3679553 0.76 MAPT (0.43) HTTPKMALDH1A1KMT2ALMNA
SCHEMBL17669676 0.75 HTT (0.50) HTTPKMALDH1A1KMT2ALMNA

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
US-8802860-B2 Method for producing substituted pyridin-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed