SCHEMBL18197867

SCHEMBL18197867

O=[N+]([O-])c1ccc(Cc2nnc3cccnn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MET P08581 7/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP19A1 P11511 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
PTK2 Q05397 1/20 0.38

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
SCHEMBL2495841 0.73 MET (0.72) METALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL12369221 0.70 MET (0.47) METALDH1A1MAPTMEN1KMT2A
SCHEMBL18197881 0.68 MET (0.55) METALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL8087428 0.68 POLB (0.76) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL8094050 0.68 POLB (0.76) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL44366 0.68 POLB (0.76) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL27543185 0.66 POLB (0.62) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL177815 0.66 POLB (0.67) POLBALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL7823769 0.66 POLB (0.49) POLBALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL177812 0.66 POLB (1.00) POLBALDH1A1SMN1; SMN2MAPTKDM4E

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
EP-1966214-B9 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-13 EP disclosed
EP-1966214-B1 TRIAZOLOPYRIDAZINES AS TYROSINE KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-02 EP disclosed