SCHEMBL25860651

SCHEMBL25860651

N/N=C\c1cnccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
IMPDH2 P12268 4/20 0.37
AOC1 P19801 2/20 0.36
AOC3 Q16853 2/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
THRB P10828 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL21192225 0.77 GAA (0.38) GAAIMPDH2AOC1AOC3ALDH1A1
SCHEMBL29954962 0.74
SCHEMBL8271732 0.74
SCHEMBL142888 0.74
SCHEMBL20653282 0.74
SCHEMBL12468931 0.73 LOXL2 (0.42) ALDH1A1LMNA
SCHEMBL12468932 0.73 LOXL2 (0.42) ALDH1A1LMNA
SCHEMBL9768963 0.73 EP300 (0.36) GAAALDH1A1KDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL29950750 0.72 GAA (0.45) GAAIMPDH2AOC1AOC3ALDH1A1
Hydrochloric Acid SCHEMBL3208467 0.72 GAA (0.45) GAAIMPDH2AOC1AOC3ALDH1A1

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
WO-2023134698-A1 PYRIDAZINE-1(6H)-6-OXO COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 深圳信立泰药业股份有限公司 2023-07-20 WO disclosed