SCHEMBL16199733

SCHEMBL16199733

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
KAT2B Q92831 1/20 0.37
PTGS2 P35354 2/20 0.36
CA9 Q16790 2/20 0.36
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
TDP1 Q9NUW8 5/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
ACHE P22303 2/20 0.34

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
SCHEMBL10796823 0.83 TSHR (0.45) PTGS2MAPTTDP1ALDH1A1KMT2A
SCHEMBL4602487 0.83 PTGS2 (0.36) PTGS2MAPTNPSR1TDP1ALDH1A1
SCHEMBL12777347 0.81 NPBWR1 (0.40) KAT2BPTGS2MAPTTDP1ALDH1A1
Hydrochloric Acid SCHEMBL11086100 0.77 LOXL2 (0.53) LOXL2KAT2BCA9MAPTNPSR1
SCHEMBL31423774 0.75 TDP1 (0.60) LOXL2MAPTNPSR1TDP1ALDH1A1
SCHEMBL11079242 0.75 TDP1 (0.60) LOXL2MAPTNPSR1TDP1ALDH1A1
SCHEMBL30929373 0.75 ALDH1A1 (0.57) MAPTTDP1ALDH1A1KMT2AMAPK1
SCHEMBL17341954 0.75 ALDH5A1 (0.44) PTGS2MAPTTDP1ALDH1A1KMT2A
SCHEMBL6410654 0.75 ALDH1A1 (0.57) MAPTTDP1ALDH1A1KMT2AMAPK1
SCHEMBL366120 0.74 TSHR (0.60) KAT2BPTGS2MAPTNPSR1TDP1

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
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed