SCHEMBL13072499

SCHEMBL13072499

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.34
▸ OPRL1 P41146 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGS2 P35354 3/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ ELANE P08246 2/20 0.31
▸ HSD11B1 P28845 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 0.31
▸ NR1H2 P55055 2/20 0.31
▸ NR1H3 Q13133 2/20 0.31
▸ DHODH Q02127 2/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ CYP17A1 P05093 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ NR3C1 P04150 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
SCHEMBL12560144 0.91 PTGS2 (0.33) CARM1OPRL1KDM4EL3MBTL1PTGS2
SCHEMBL30466609 0.90 MAPT (0.35) CARM1OPRL1KDM4EL3MBTL1PTGS2
SCHEMBL499517 0.90 KDM4E (0.34) CARM1OPRL1KDM4EL3MBTL1PTGS2
SCHEMBL25235198 0.90 MAPT (0.35) CARM1OPRL1KDM4EL3MBTL1PTGS2
SCHEMBL950884 0.90 KDM4E (0.34) CARM1OPRL1KDM4EL3MBTL1PTGS2
SCHEMBL30466601 0.89 MAPT (0.35) CARM1OPRL1KDM4EL3MBTL1PTGS2
SCHEMBL950989 0.89 KDM4E (0.34) CARM1OPRL1KDM4EL3MBTL1PTGS2
Ammonia Solution, Strong SCHEMBL25275402 0.89 MAPT (0.35) CARM1OPRL1KDM4EL3MBTL1PTGS2
SCHEMBL951078 0.88 DHODH (0.34) CARM1OPRL1KDM4EL3MBTL1PTGS2
SCHEMBL14495253 0.87 KDM4E (0.33) CARM1OPRL1KDM4EL3MBTL1PTGS2

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-2251336-A1 Hydrazide compounds as intermediates of pesticides Sumitomo Chemical Company, Limited (JP) 2010-11-17 — — EP disclosed
Send feedback