SCHEMBL27861585

SCHEMBL27861585

O=[N+]([O-])c1cccc(N2CC(c3ccccn3)=NN(c3ccccc3Br)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35

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
SCHEMBL27598023 0.86 MAPT (0.42) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL27598018 0.83 TDP1 (0.38) MAPTKDM4EMEN1KMT2AGRM5
SCHEMBL27581431 0.83 KCNH2 (0.38) MAPTGRM5RAB9AALDH1A1HPGD
SCHEMBL27598064 0.82 FGFR1 (0.36) GRM5FGFR1METAP1ALDH1A1
SCHEMBL4044214 0.80 MAPT (0.43) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL27598111 0.79 MEN1 (0.38) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL27598088 0.79 CYP2A6 (0.36) NPC1GRM5RAB9A
SCHEMBL27844383 0.77 FLT3 (0.41) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL27598043 0.77 RAB9A (0.34) MAPTKDM4ENPC1GRM5RAB9A
SCHEMBL27861698 0.77 KMT2A (0.41) MAPTKDM4EMEN1KMT2ANPC1

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
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
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