SCHEMBL11276543

SCHEMBL11276543

CNc1cccc(C(=O)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.52
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.46
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
AKR1C3 P42330 1/20 0.43
HCAR3 P49019 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 2/20 0.41
BDKRB1 P46663 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PLK1 P53350 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDK1 Q15118 1/20 0.40

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
SCHEMBL14743197 0.87 MAPT (0.55) CDC25BKMT2APOLBMAPTALDH1A1
SCHEMBL11305957 0.85 POLB (0.57) KMT2APOLBMAPTALDH1A1HCAR3
SCHEMBL11276325 0.84 HCAR3 (0.48) CDC25BKMT2APOLBMAPTALDH1A1
SCHEMBL11275613 0.83 HCAR3 (0.49) CDC25BKMT2APOLBMAPTALDH1A1
SCHEMBL11266242 0.82 MAPT (0.51) KMT2APOLBMAPTALDH1A1GAA
SCHEMBL17030649 0.81 ALDH1A1 (0.56) KMT2APOLBMAPTALDH1A1AKR1C3
SCHEMBL27510794 0.81 MAPT (0.50) KMT2APOLBMAPTALDH1A1AKR1C3
SCHEMBL28322317 0.81 MAPT (0.47) CDC25BKMT2APOLBMAPTALDH1A1
Acetic Acid SCHEMBL27680220 0.81 ALDH1A1 (0.47) CDC25BKMT2APOLBMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL27868111 0.80 MAPT (0.49) KMT2APOLBMAPTALDH1A1AKR1C3

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-0022017-B1 DERIVATIVES OF 2-BENZOYL-4-NITRO ANILIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES PIERRE FABRE S.A. (FR) 1982-05-05 EP disclosed
EP-0022017-A1 Derivatives of 2-benzoyl-4-nitro anilides, their preparation and their use as medicines PIERRE FABRE S.A. (FR) 1981-01-07 EP disclosed