SCHEMBL27735035

SCHEMBL27735035

N#Cc1ccccc1N1CC(c2ccccn2)=NN(c2ccccc2)C1C=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.38
▸ GRIA3 P42263 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ NR3C2 P08235 1/20 0.37
▸ PRKCZ Q05513 1/20 0.35
▸ GRM5 P41594 7/20 0.34
▸ UCHL1 P09936 1/20 0.32
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A2 P11168 1/20 0.31
▸ SLC2A3 P11169 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ GHSR Q92847 1/20 0.30

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
SCHEMBL27771612 0.92 GRIA1 (0.38) GRIA1GRIA3PDE4DNR3C2PRKCZ
SCHEMBL27755571 0.88 GRM5 (0.33) GRIA1GRIA3PDE4DNR3C2PRKCZ
SCHEMBL27734999 0.86 PRKCZ (0.34) GRIA1GRIA3PDE4DNR3C2PRKCZ
SCHEMBL27755568 0.85 GRM5 (0.34) GRIA1GRIA3PDE4DNR3C2PRKCZ
SCHEMBL27755573 0.85 GRM5 (0.33) GRIA1GRIA3PDE4DNR3C2PRKCZ
SCHEMBL27580466 0.84 PRKCZ (0.35) GRIA1GRIA3PDE4DPRKCZGRM5
SCHEMBL27735021 0.82 ALDH1A1 (0.33) GRIA1GRIA3PDE4DNR3C2PRKCZ
SCHEMBL27755572 0.82 NPSR1 (0.39) GRIA1GRIA3PDE4DNR3C2PRKCZ
SCHEMBL27735006 0.80 CYP2A6 (0.39) NR3C2PRKCZGRM5
SCHEMBL27755569 0.79 PRKCZ (0.36) NR3C2PRKCZGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101486683-B Pyridazinone and triazinone compounds and their use as pharmaceutical formulations Sanitary Material R&D Management Co.,Ltd. (JP) 2011-12-21 — — CN disclosed
CN-101486683-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI R&D MAN CO LTD (JP) 2009-07-22 — — CN disclosed
CN-100473647-C Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2009-04-01 — — CN disclosed
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