SCHEMBL9015058

SCHEMBL9015058

O=[N+]([O-])c1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 5/20 0.43
ABCC8 Q09428 2/20 0.41
KCNJ11 Q14654 2/20 0.41
HCRTR1 O43613 1/20 0.38
PKM P14618 1/20 0.38
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
ARF6 P62330 3/20 0.37
PLAT P00750 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
GYS1 P13807 2/20 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
SCHEMBL9015077 0.95 ABCC8 (0.47) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015102 0.95 PSD (0.50) PSDABCC8KCNJ11PKMALDH1A1
SCHEMBL9015086 0.95 ABCC8 (0.47) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015124 0.95 PSD (0.40) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015048 0.94 PSD (0.40) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015168 0.90 PSD (0.45) PSDABCC8KCNJ11ARF6PLAT
SCHEMBL9015127 0.90 MAPT (0.40) PSDABCC8KCNJ11KCNQ3KCNQ2
SCHEMBL9015144 0.90 PSD (0.42) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015076 0.90 PSD (0.44) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015123 0.90 PSD (0.39) PSDABCC8KCNJ11HCRTR1PKM

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