SCHEMBL7370813

SCHEMBL7370813

Cc1nc(-c2ccc([N+](=O)[O-])cc2)n(O)c1-c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
RXFP1 Q9HBX9 3/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA5 P30532 1/20 0.50
CHRNA4 P43681 1/20 0.50
ALDH1A1 P00352 6/20 0.46
PKM P14618 3/20 0.46
BCHE P06276 1/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 5/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
PLK1 P53350 1/20 0.43
GSK3B P49841 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NLRP3 Q96P20 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL7368423 0.82 CYP19A1 (0.50) KMT2AMEN1CHRNB2CHRNA5CHRNA4
SCHEMBL7365609 0.82 CYP19A1 (0.45) KMT2AMEN1ALDH1A1PKMRAB9A
SCHEMBL7372680 0.81 MAPK1 (0.48) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7372671 0.81 KDM4E (0.46) KDM4EKMT2AALDH1A1RAB9AMAPT
SCHEMBL7367075 0.81 NPY5R (0.48) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7373516 0.80 MKNK1 (0.58) HTTKDM4EKMT2AALDH1A1RAB9A
SCHEMBL7368881 0.79 CYP11B2 (0.51) HTTRXFP1KDM4EKMT2AMEN1
SCHEMBL7371125 0.78 S1PR1 (0.48) KMT2AMEN1MAPTGSK3B
SCHEMBL7372213 0.77 CYP19A1 (0.56) KDM4EALDH1A1MAPTABCG2SMN1; SMN2
SCHEMBL7372935 0.77 ALDH1A1 (0.58) HTTRXFP1KDM4EKMT2AMEN1

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
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed