SCHEMBL9015077

SCHEMBL9015077

O=[N+]([O-])c1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 2/20 0.47
KCNJ11 Q14654 2/20 0.47
HCRTR1 O43613 1/20 0.45
PKM P14618 1/20 0.45
PSD A5PKW4 8/20 0.42
CNR1 P21554 1/20 0.38
ARF6 P62330 1/20 0.38
PTGS2 P35354 4/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9015086 1.00 ABCC8 (0.47) ABCC8KCNJ11HCRTR1PKMPSD
SCHEMBL9015058 0.95 PSD (0.43) ABCC8KCNJ11HCRTR1PKMPSD
SCHEMBL9015124 0.90 PSD (0.40) ABCC8KCNJ11HCRTR1PKMPSD
SCHEMBL9015102 0.90 PSD (0.50) ABCC8KCNJ11PKMPSDCYP1A2
SCHEMBL9015048 0.89 PSD (0.40) ABCC8KCNJ11HCRTR1PKMPSD
SCHEMBL9015094 0.87 PSD (0.52) ABCC8KCNJ11PSDCNR1KCNQ3
SCHEMBL9015145 0.86 ARF6 (0.40) ABCC8KCNJ11HCRTR1PKMPSD
SCHEMBL9015158 0.86 PSD (0.39) ABCC8KCNJ11HCRTR1PKMPSD
SCHEMBL9015168 0.85 PSD (0.45) ABCC8KCNJ11PSDCNR1ARF6
SCHEMBL9015127 0.85 MAPT (0.40) ABCC8KCNJ11PSDCNR1PTGS2

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 3 patents. 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
EP-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP disclosed
US-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed