SCHEMBL9015100

SCHEMBL9015100

CCOCn1c(-c2ccc(Cl)cc2)c([N+](=O)[O-])c(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.34
P2RX3 P56373 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
PSD A5PKW4 2/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MYC P01106 1/20 0.30
MAX P61244 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
SCHEMBL9015140 0.88 PSD (0.33) PSD
SCHEMBL9015114 0.88 PSD (0.35) MEN1KMT2APSD
SCHEMBL7508807 0.75 LMNA (0.34) MEN1LMNAMAPTKMT2APSD
SCHEMBL9015078 0.74 KDM4E (0.37) MEN1LMNAMAPTKMT2A
SCHEMBL9220849 0.73 MAPK14 (0.33) NR1H2NR1H3MAPTPTGS1PTGS2
SCHEMBL8799002 0.70 MEN1 (0.34) NR1H2NR1H3MEN1KMT2APTGS1
SCHEMBL5819960 0.70 KIF11 (0.35) NR1H2NR1H3MAPT
Chlorfenapyr SCHEMBL3659815 0.70 GPR35 (0.36)
SCHEMBL7784780 0.69 PTGS1 (0.37) MEN1LMNAMAPTKMT2APTGS1
SCHEMBL9446444 0.69 PSD (0.37) LMNAMAPTPSD

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-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP claimed