SCHEMBL30745145

SCHEMBL30745145

O=c1cccnn1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SCN9A Q15858 7/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MAPK14 Q16539 2/20 0.40
NR3C2 P08235 1/20 0.40
SCN5A Q14524 1/20 0.39
MAPK11 Q15759 1/20 0.38
SCN10A Q9Y5Y9 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
SCHEMBL30202502 0.82 MEN1 (0.42) MGLLMEN1KMT2ASCN9ASMN1; SMN2
SCHEMBL20876908 0.78 MGLL (0.44) MGLLMEN1KMT2AKDM4ECA12
SCHEMBL29594292 0.78 MGLL (0.44) MGLLMEN1KMT2AKDM4ECA12
SCHEMBL28026330 0.78 MAPK14 (0.49) MGLLKDM4ECA12CA1CA2
SCHEMBL10666477 0.78 CA12 (0.46) MEN1KMT2AKDM4ECA12CA1
Hydrochloric Acid SCHEMBL29437754 0.76 MGLL (0.43) MGLLMEN1KMT2AKDM4ECA12
SCHEMBL17059042 0.76 CA12 (0.39) CA12CA1CA2CA9MAPK14
SCHEMBL14955412 0.73 CA12 (0.49) CA12CA1CA2CA9
SCHEMBL5698257 0.73 ALDH1A1 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL3043828 0.72 CA12 (0.61) KMT2AKDM4ECA12CA1CA2

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
CN-117510470-A Pyridazinone compounds and application thereof 暨南大学 2024-02-06 CN disclosed