SCHEMBL11535923

SCHEMBL11535923

Cc1ccc(C(N)[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 4/20 0.41
HSP90AA1 P07900 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
AGTR1 P30556 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FBP1 P09467 1/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL6281491 0.77 ACHE (0.50) ACHEHSD17B10ALDH1A1HSP90AA1TDP1
SCHEMBL27940887 0.77 DPP4 (0.46) ALDH1A1TDP1MAPTMAPK1NPSR1
SCHEMBL514558 0.77 DPP4 (0.46) ALDH1A1TDP1MAPTMAPK1NPSR1
SCHEMBL17018447 0.76 ACHE (0.48) ACHEHSD17B10ALDH1A1HSP90AA1TDP1
Hydrochloric Acid SCHEMBL6045120 0.76 DPP4 (0.44) ALDH1A1TDP1MAPTMAPK1NPSR1
SCHEMBL27619382 0.74
Nitric Acid SCHEMBL10789129 0.72 GSR (0.42) ALDH1A1TDP1MAPTNPSR1KMT2A
SCHEMBL10653829 0.71 ACHE (0.43) ACHEHSD17B10ALDH1A1TDP1MAPT
SCHEMBL9337987 0.71 ACHE (0.43) ACHEHSD17B10ALDH1A1HSP90AA1TDP1
P-Cymene SCHEMBL28370313 0.70 ACHE (0.46) ACHEHSD17B10ALDH1A1HSP90AA1TDP1

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-4153505-A PYROLYZED AROMATIC NITROGEN-CONTAINING THERMOSET FOAM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-05-08 US disclosed