SCHEMBL11247865

SCHEMBL11247865

CC(C)Cn1nc(-c2ccncc2)cc(C(=O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
DHODH Q02127 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
KDM6B O15054 1/20 0.39
GSK3B P49841 5/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MARS1 P56192 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CLK1 P49759 1/20 0.36
UBE2N P61088 1/20 0.36

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
SCHEMBL11241884 0.91 MAPT (0.40) MAPTKDM4CDHODHALDH1A1GAA
SCHEMBL1927369 0.90 KDM4E (0.45) MAPTDHODHKDM4EHSD17B10
SCHEMBL11248872 0.89 CASP1 (0.45) MAPTGSK3BTP53THRB
SCHEMBL1925353 0.87 KMT2A (0.46) MAPTDHODHALDH1A1TP53TDP1
SCHEMBL1925804 0.87 DHODH (0.44) DHODHTP53KDM4EHSD17B10
SCHEMBL11241921 0.86 KDM4E (0.44) MAPTALDH1A1GSK3BTP53THRB
SCHEMBL1924391 0.85 PSEN1 (0.41) MAPTDHODHTP53
SCHEMBL11230958 0.85 PDE4B (0.43) MAPTKDM4CDHODHALDH1A1GAA
SCHEMBL11230793 0.84 CASP1 (0.53) MAPTALDH1A1GSK3BTDP1KDM4E
SCHEMBL1925245 0.84 ADORA3 (0.40) DHODHTP53ADORA2AADORA1KDM4E

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