SCHEMBL11116691

SCHEMBL11116691

O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
ROCK2 O75116 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CXCR4 P61073 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
JAK2 O60674 1/20 0.41
NTRK1 P04629 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
CDK8 P49336 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
AURKB Q96GD4 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL11116531 0.85 MEN1 (0.54) ROCK2L3MBTL1MEN1KMT2AMAPT
SCHEMBL11115589 0.85 LMNA (0.57) ROCK2L3MBTL1MEN1KMT2ANPC1
SCHEMBL11114617 0.85 KDR (0.48) ROCK2MEN1KMT2ANPC1RAB9A
SCHEMBL11119482 0.85 ROCK2 (0.62) ROCK2MAPTJAK2NTRK1RET
SCHEMBL11115917 0.84 LMNA (0.46) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL11119372 0.81 JAK2 (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3048489 0.78 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL3103600 0.78 LMNA (0.59) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11117718 0.78 JAK2 (0.43) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL11116880 0.77 LMNA (0.54) ALDH1A1L3MBTL1MEN1KMT2ANPC1

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-0116853-A1 Pyridazinones, processes for preparing them, therapeutical compositions containing these compounds and their use BASF Aktiengesellschaft (DE) 1984-08-29 EP disclosed