SCHEMBL9084085

SCHEMBL9084085

[CH2]CCCCCNC(O)=S

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
PRMT1 Q99873 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRA1A P35348 1/20 0.31
EPHX2 P34913 5/20 0.31
ALDH1A2 O94788 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH1A3 P47895 1/20 0.30
EPHX1 P07099 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29840100 0.87 CA1 (0.44) CA1CA2CA12CA9PRMT1
SCHEMBL502740 0.78 HSD17B10 (0.46) CA1CA2CA12CA9KDM4E
SCHEMBL9806448 0.78 HSD17B10 (0.46) CA1CA2CA12CA9KDM4E
SCHEMBL11723408 0.78 HSD17B10 (0.46) CA1CA2CA12CA9KDM4E
SCHEMBL5889062 0.76 KDM4E (0.41) PRMT1KDM4EMAPK1HIF1AALDH1A1
SCHEMBL2865720 0.75 KDM4E (0.44) CA1CA2CA12CA9PRMT1
SCHEMBL11098408 0.75 EPHX1 (0.56) EPHX2EPHX1
SCHEMBL468535 0.75
SCHEMBL716827 0.75 KDM4E (0.44) CA1CA2CA12CA9PRMT1
SCHEMBL9533605 0.75 EPHX1 (0.56) EPHX2EPHX1

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
EP-0736019-A1 1,3-OXAZIN-4-ONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES MITSUBISHI CHEMICAL CORPORATION (JP) 1996-10-09 EP disclosed
WO-1995018113-A1 1,3-OXAZIN-4-ONE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES MITSUBISHI CHEMICAL CORPORATION (JP) 1995-07-06 WO disclosed
EP-0083613-B1 N-PHENYLPYRAZOLE DERIVATIVES USEFUL AS HERBICIDES MAY & BAKER LIMITED (GB) 1988-06-01 EP disclosed
EP-0084033-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-10-02 EP disclosed
EP-0053011-B1 NEW HERBICIDAL NICOTINAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-04-03 EP disclosed