SCHEMBL30440624

SCHEMBL30440624

Cn1c(=O)c(N=Nc2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ MET P08581 1/20 0.54
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ MAPT P10636 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ XBP1 P17861 1/20 0.46

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
SCHEMBL9016312 0.89 IDO1 (0.55) KMT2AMEN1METNPC1RAB9A
SCHEMBL29710718 0.89 IDO1 (0.55) KMT2AMEN1METNPC1RAB9A
SCHEMBL9016309 0.89 IDO1 (0.55) KMT2AMEN1METNPC1RAB9A
SCHEMBL30099697 0.74 MAPT (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3160763 0.74 MAPT (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10681031 0.73 NPC1 (0.62) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL10671907 0.72 MEN1 (0.74) KMT2AMEN1METNPC1RAB9A
SCHEMBL2436925 0.70 MAPT (0.67) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29372851 0.70 MAPT (0.67) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29357277 0.70 MAPT (0.67) KMT2AMEN1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112940524-B Heterocyclic disperse yellow dye compound, preparation method thereof and dye composition 蓬莱嘉信染料化工股份有限公司 2023-11-24 — — CN disclosed
CN-116219772-A Pretreatment liquid and image forming method 柯尼卡美能达株式会社 2023-06-06 — — CN disclosed
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