SCHEMBL9647752

SCHEMBL9647752

O=c1c2ccccc2[nH]n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
P2RX4 Q99571 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.49

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
SCHEMBL9646860 0.85 ALOX5 (0.54) ALOX5ALDH1A1KMT2A
SCHEMBL9645952 0.82 ALOX5 (0.70) ALOX5KDM4EALDH1A1
SCHEMBL9646895 0.80 ALOX5 (0.59) ALOX5
SCHEMBL10037024 0.78 P2RX4 (0.60) P2RX4KDM4EALDH1A1KMT2A
SCHEMBL1069838 0.77 ALOX5 (0.59) ALOX5
SCHEMBL31667227 0.76 MEN1 (0.61) ALOX5P2RX4KMT2A
SCHEMBL11614550 0.75 PSD (0.47) P2RX4KMT2A
SCHEMBL9645961 0.74 ALOX5 (0.57) ALOX5
SCHEMBL11455491 0.72 L3MBTL1 (0.48) P2RX4KDM4EALDH1A1KMT2A
SCHEMBL9453622 0.71 P2RX4 (0.52) P2RX4KDM4EALDH1A1KMT2A

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
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed