SCHEMBL12560144

SCHEMBL12560144

CCc1cc(Br)c2nc(-c3cc(C(F)(F)F)nn3-c3ncccc3Cl)oc(=O)c2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.33
▸ PTGS1 P23219 4/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ DHODH Q02127 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RXRA P19793 2/20 0.30
▸ NR1H2 P55055 2/20 0.30
▸ NR1H3 Q13133 2/20 0.30
▸ SCN9A Q15858 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
SCHEMBL13072499 0.91 CARM1 (0.34) PTGS2PTGS1CARM1DHODHKDM4E
SCHEMBL950404 0.89 DHODH (0.34) PTGS2PTGS1CARM1DHODHKDM4E
SCHEMBL950450 0.89 KDM4E (0.34) PTGS2PTGS1DHODHKDM4EL3MBTL1
SCHEMBL952864 0.89 RAB9A (0.38) PTGS2PTGS1CARM1DHODHKDM4E
SCHEMBL25274671 0.88 DHODH (0.35) PTGS2PTGS1CARM1DHODHKDM4E
SCHEMBL25702567 0.88 DHODH (0.34) PTGS2PTGS1CARM1DHODHKDM4E
SCHEMBL12559277 0.86 HPN (0.37) PTGS2PTGS1CARM1KDM4EL3MBTL1
SCHEMBL14495253 0.85 KDM4E (0.33) PTGS2PTGS1CARM1DHODHKDM4E
SCHEMBL13072420 0.84 ELANE (0.39) PTGS2PTGS1CARM1KDM4EL3MBTL1
SCHEMBL951078 0.84 DHODH (0.34) PTGS2PTGS1CARM1DHODHKDM4E

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-1937664-B1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-06-15 — — EP disclosed
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