SCHEMBL9239153

SCHEMBL9239153

O=C(O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
TSHR P16473 1/20 0.47
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
APP P05067 2/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL31466650 0.84 HPGD (0.62) MEN1KMT2AMAPTTSHRPTPN1
SCHEMBL28554951 0.81 CDK2 (0.43) CDK2MEN1KMT2AMAPTGAA
SCHEMBL3974372 0.79 BDKRB1 (0.48) MAPTHPGDKDM4EALDH1A1
SCHEMBL9422864 0.79 MAPT (0.62) CDK2MEN1KMT2AMAPTTSHR
SCHEMBL2332528 0.78 TSHR (0.58) CDK2MEN1KMT2AMAPTGAA
SCHEMBL9588176 0.78 CDK2 (0.50) CDK2MEN1KMT2AMAPTGAA
SCHEMBL7904373 0.77 ALDH1A1 (0.47) CDK2MEN1KMT2AMAPTGAA
SCHEMBL3035419 0.77 CDK2 (0.59) CDK2MEN1KMT2AMAPTGAA
SCHEMBL7422107 0.77 ALDH1A1 (0.52) MEN1KMT2AMAPTGAATSHR
SCHEMBL7479503 0.76 MAPT (0.66) CDK2MEN1KMT2AMAPTGAA

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
JP-7188148-A None JP disclosed
JP-H07188148-A PRODUCTION OF AMINOBENZOATE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1995-07-25 JP disclosed