SCHEMBL9015144

SCHEMBL9015144

O=[N+]([O-])c1c(-c2ccc(Cl)c(Cl)c2)[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 6/20 0.42
ABCC8 Q09428 2/20 0.36
KCNJ11 Q14654 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HCRTR1 O43613 1/20 0.36
PKM P14618 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
ARF6 P62330 4/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
PLAT P00750 1/20 0.34

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
SCHEMBL9015076 0.95 PSD (0.44) PSDABCC8KCNJ11ALDH1A1TSHR
SCHEMBL9015125 0.94 PSD (0.47) PSDABCC8KCNJ11ALDH1A1TSHR
SCHEMBL9015058 0.90 PSD (0.43) PSDABCC8KCNJ11ALDH1A1TSHR
SCHEMBL9015142 0.85 PSD (0.44) PSDABCC8KCNJ11ALDH1A1TSHR
SCHEMBL9015086 0.85 ABCC8 (0.47) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015124 0.85 PSD (0.40) PSDABCC8KCNJ11ALDH1A1TSHR
SCHEMBL9015077 0.85 ABCC8 (0.47) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015102 0.85 PSD (0.50) PSDABCC8KCNJ11ALDH1A1PKM
SCHEMBL9015048 0.84 PSD (0.40) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015099 0.84 PSD (0.47) PSDABCC8KCNJ11ALDH1A1TSHR

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
US-5233052-A Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed