SCHEMBL11239129

SCHEMBL11239129

Cc1cncc(-c2cc(C(=O)O)c(=O)[nH]n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
ALPL P05186 7/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
CA9 Q16790 4/20 0.38
CDK7 P50613 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALK Q9UM73 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 2/20 0.34
GSK3B P49841 1/20 0.34
CA12 O43570 2/20 0.34
POLB P06746 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
SCHEMBL11237850 0.87 PRMT5 (0.43) HCAR2ALPLPRMT5WDR77CYP11B2
SCHEMBL11233232 0.84 PRMT5 (0.44) PRMT5WDR77CYP11B2CYP11B1CDK7
SCHEMBL11248675 0.83 MAPT (0.45) ALPLPRMT5WDR77KDM4EGAA
SCHEMBL20471668 0.81 ALPL (0.65) ALPLCA9KDM4ELMNAMAPT
SCHEMBL4853168 0.78 ALDH1A1 (0.58) HCAR2KDM4EGAAALKTP53
SCHEMBL11242185 0.78 ALPL (0.42) HCAR2ALPLCA9KDM4EGAA
SCHEMBL11245554 0.78 PRMT5 (0.47) PRMT5WDR77CYP11B2CYP11B1ALK
SCHEMBL21001258 0.77 ALPL (0.46) ALPLPRMT5WDR77CA9TP53
SCHEMBL4849085 0.77 ALPL (0.46) HCAR2ALPLCA9KDM4EGAA
SCHEMBL2950654 0.76 GSK3B (0.53) ALPLCA9GAATP53MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed