SCHEMBL3133040

SCHEMBL3133040

O=C(O)c1cc(N[N+](=O)[O-])ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
ALKBH5 Q6P6C2 2/20 0.50
FTO Q9C0B1 2/20 0.50
KDM5A P29375 2/20 0.50
KDM3A Q9Y4C1 2/20 0.50
KDM4A O75164 2/20 0.50
KDM5C P41229 2/20 0.50
KDM5B Q9UGL1 2/20 0.50
KDM6B O15054 1/20 0.50
TET3 O43151 1/20 0.50
BBOX1 O75936 1/20 0.50
ASPH Q12797 1/20 0.50
KDM4D Q6B0I6 1/20 0.50
TET2 Q6N021 1/20 0.50
KDM7A Q6ZMT4 1/20 0.50
KDM8 Q8N371 1/20 0.50
TET1 Q8NFU7 1/20 0.50
EGLN2 Q96KS0 1/20 0.50

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
SCHEMBL1251612 0.77 KDM4E (0.55) KDM4EALDH1A1MAPTALKBH5FTO
SCHEMBL28663446 0.77 KDM4E (0.55) KDM4EALDH1A1MAPTALKBH5FTO
SCHEMBL2481383 0.75 ALDH1A1 (0.53) KDM4EALDH1A1MAPTALKBH5FTO
SCHEMBL2437939 0.74 KDM4E (0.52) KDM4EALDH1A1MAPTALKBH5FTO
SCHEMBL9440318 0.74 ALDH1A1 (0.52) KDM4EALDH1A1MAPTALKBH5FTO
SCHEMBL23337477 0.74 ACVRL1 (0.55) KDM4EALDH1A1MAPTALKBH5FTO
SCHEMBL5906610 0.74 KDM4E (0.52) KDM4EALDH1A1MAPTALKBH5FTO
SCHEMBL2437937 0.74 KDM4E (0.52) KDM4EALDH1A1MAPTALKBH5FTO
SCHEMBL9440315 0.74 ALDH1A1 (0.52) KDM4EALDH1A1MAPTALKBH5FTO
SCHEMBL3736841 0.73 SMARCA2 (0.49) KDM4EMAPTSMN1; SMN2LMNAL3MBTL1

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
US-8598190-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
WO-2010034798-A1 3H-IMIDAZO [4, 5-C] PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed