SCHEMBL27598111

SCHEMBL27598111

O=CC1N(c2cccc([N+](=O)[O-])c2)CC(c2ccccn2)=NN1c1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ PRKCZ Q05513 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ METAP1 P53582 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL27598121 0.88 PIK3CD (0.37) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27755569 0.86 PRKCZ (0.36) MAPTGRM5KDM4EALDH1A1PRKCZ
SCHEMBL27735007 0.85 SMN1; SMN2 (0.36) MAPTGRM5KDM4EALDH1A1PRKCZ
SCHEMBL27598051 0.84 NPSR1 (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27735008 0.82 CYP2A6 (0.34) MAPTNPC1RAB9AHTTPRKCZ
SCHEMBL27755562 0.81 FLT3 (0.34) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27735005 0.80 MEN1 (0.34) MEN1KMT2APRKCZ
SCHEMBL27861585 0.79 MAPT (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27755589 0.79 PRKCZ (0.31) PRKCZ
SCHEMBL27735037 0.78 PRKCZ (0.35) HTTPRKCZGAA

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
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
CN-1458924-A Pyridazinone and triazinone compounds and their use as pharmaceutical formulations EISAI CO LTD (JP) 2003-11-26 — — CN disclosed
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