SCHEMBL11117718

SCHEMBL11117718

O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
NTRK1 P04629 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
CDK8 P49336 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
AURKB Q96GD4 1/20 0.43
KDR P35968 1/20 0.43
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
MAPT P10636 6/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 4/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL11119372 0.84 JAK2 (0.41) JAK2NTRK1RETPDGFRBCDK8
SCHEMBL11116074 0.84 MEN1 (0.52) JAK2NTRK1RETPDGFRBCDK8
SCHEMBL11117748 0.84 KMT2A (0.61) JAK2NTRK1RETPDGFRBCDK8
SCHEMBL11118417 0.83 CYP1A2 (0.55) JAK2NTRK1RETPDGFRBCDK8
SCHEMBL11119837 0.81 JAK2 (0.44) JAK2NTRK1RETPDGFRBCDK8
SCHEMBL3103600 0.80 LMNA (0.59) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL11115917 0.80 LMNA (0.46) JAK2NTRK1RETPDGFRBCDK8
SCHEMBL11121938 0.79 KMT2A (0.55) JAK2NTRK1RETPDGFRBCDK8
SCHEMBL11116691 0.78 ALDH1A1 (0.45) JAK2NTRK1RETPDGFRBCDK8
SCHEMBL11118397 0.73 AURKB (0.70) JAK2NTRK1RETPDGFRBCDK8

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