SCHEMBL16500362

SCHEMBL16500362

CCCCCNC(=O)NC1=CNc2ccccc2C(c2ccccc2)=N1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 7/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GHSR Q92847 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KIT P10721 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ ASAH1 Q13510 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL14424464 0.73 SOAT1 (0.64) EPHX1ALDH1A1HTTKDM4EHPGD
SCHEMBL14424478 0.70 EPHX1 (0.80) EPHX1ALDH1A1HTTGHSRKMT2A
SCHEMBL7722626 0.69 EPHX1 (0.97) EPHX1ALDH1A1HTTKDM4EGHSR
SCHEMBL14424463 0.69 POLB (0.67) EPHX1ALDH1A1HTTKDM4EHPGD
SCHEMBL17119069 0.68 EPHX1 (1.00) EPHX1ALDH1A1HTTKDM4EGHSR
SCHEMBL11671083 0.68 EPHX1 (1.00) EPHX1ALDH1A1HTTKDM4EGHSR
SCHEMBL813735 0.68 EPHX1 (1.00) EPHX1ALDH1A1HTTKDM4EGHSR
SCHEMBL10599308 0.68 EPHX1 (1.00) EPHX1ALDH1A1HTTKDM4EGHSR
SCHEMBL4603476 0.68 EPHX1 (1.00) EPHX1ALDH1A1HTTKDM4EGHSR
SCHEMBL5020899 0.68 EPHX1 (1.00) EPHX1ALDH1A1HTTKDM4EGHSR

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
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 — — EP disclosed
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