SCHEMBL11116531

SCHEMBL11116531

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA2B P29275 2/20 0.49
ADORA1 P30542 2/20 0.49
MGLL Q99685 1/20 0.48
ROCK2 O75116 1/20 0.48
JAK2 O60674 1/20 0.47
NTRK1 P04629 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
CDK8 P49336 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
AURKB Q96GD4 1/20 0.47
KDR P35968 1/20 0.46
MAPT P10636 1/20 0.43

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
SCHEMBL11114617 0.89 KDR (0.48) MEN1KMT2ASMN1; SMN2ROCK2JAK2
SCHEMBL11115589 0.89 LMNA (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1ROCK2
SCHEMBL11119482 0.88 ROCK2 (0.62) MGLLROCK2JAK2NTRK1RET
SCHEMBL11116691 0.85 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1ROCK2JAK2
SCHEMBL11116974 0.82 MEN1 (0.52) MEN1KMT2AJAK2NTRK1RET
SCHEMBL11123381 0.81 KDR (0.51) MEN1KMT2AROCK2JAK2NTRK1
SCHEMBL11116880 0.81 LMNA (0.54) MEN1KMT2ASMN1; SMN2L3MBTL1JAK2
SCHEMBL11117088 0.81 PDGFRB (0.48) MEN1KMT2AMGLLROCK2JAK2
SCHEMBL11120834 0.80 AURKB (0.67) MEN1KMT2AMGLLROCK2JAK2
SCHEMBL11117737 0.80 JAK2 (0.57) MEN1KMT2AROCK2JAK2NTRK1

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