SCHEMBL9015145

SCHEMBL9015145

O=[N+]([O-])c1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 2/20 0.40
PTGS2 P35354 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
PSD A5PKW4 5/20 0.36
HCRTR1 O43613 1/20 0.36
PKM P14618 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.33

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
SCHEMBL9015158 0.90 PSD (0.39) ARF6ABCC8KCNJ11PSDHCRTR1
SCHEMBL9015150 0.88 ARF6 (0.39) ARF6ABCC8KCNJ11PSDHCRTR1
SCHEMBL9015077 0.86 ABCC8 (0.47) ARF6PTGS2ABCC8KCNJ11PSD
SCHEMBL9015086 0.86 ABCC8 (0.47) ARF6PTGS2ABCC8KCNJ11PSD
SCHEMBL9015113 0.86 PSD (0.40) ARF6ABCC8KCNJ11PSDHCRTR1
SCHEMBL9015058 0.86 PSD (0.43) ARF6ABCC8KCNJ11PSDHCRTR1
SCHEMBL9015214 0.82 ABCC8 (0.38) ARF6ABCC8KCNJ11CCNE2CCNE1
SCHEMBL9015076 0.82 PSD (0.44) ARF6ABCC8KCNJ11PSDHCRTR1
SCHEMBL9015124 0.81 PSD (0.40) ARF6ABCC8KCNJ11PSDHCRTR1
SCHEMBL9015102 0.81 PSD (0.50) ABCC8KCNJ11PSDPKM

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