SCHEMBL8957310

SCHEMBL8957310

O=C(O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.77
MAPT P10636 1/20 0.72
ALDH1A1 P00352 1/20 0.70
AKR1B1 P15121 15/20 0.68
TSHR P16473 1/20 0.63
PTGDR2 Q9Y5Y4 1/20 0.62

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
SCHEMBL9216689 0.91 KMT2A (0.72) KMT2AMAPTALDH1A1AKR1B1
SCHEMBL9212517 0.87 KMT2A (0.79) KMT2AMAPTALDH1A1AKR1B1
SCHEMBL9327258 0.86 MAPT (0.78) KMT2AMAPTAKR1B1TSHR
SCHEMBL11163802 0.84 KMT2A (0.64) KMT2AMAPTALDH1A1AKR1B1
SCHEMBL9209333 0.84 KMT2A (0.58) KMT2AMAPTALDH1A1AKR1B1TSHR
SCHEMBL6890822 0.84 MAPT (1.00) KMT2AMAPTALDH1A1AKR1B1TSHR
SCHEMBL10007138 0.81 MAPT (0.79) KMT2AMAPTALDH1A1AKR1B1PTGDR2
SCHEMBL9218891 0.81 AKR1B1 (0.66) KMT2AMAPTAKR1B1PTGDR2
SCHEMBL23966567 0.80 MAPT (0.68) KMT2AMAPTAKR1B1TSHRPTGDR2
SCHEMBL8128443 0.80 MAPT (0.68) KMT2AMAPTAKR1B1TSHRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489592-A ALDOSE REDUCTASE INHIBITORS FOR TREATMENT OF DIABETES-RELATED DISORDERS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1996-02-06 US disclosed
US-4393062-A ALDOSE REDUCTASE INHIBITOR IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-07-12 US disclosed
EP-0002895-B1 ENZYME INHIBITORY PHTHALAZIN-4-YLACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESS FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-10-14 EP disclosed
US-4251528-A ALDOSE REDUCTASE INHIBITORS USEFUL IN DIABETES, GALACTOSEMIA IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-02-17 US disclosed
EP-0002895-A1 Enzyme inhibitory phthalazin-4-ylacetic acid derivatives, pharmaceutical compositions thereof, and process for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-07-11 EP disclosed