SCHEMBL9015124

SCHEMBL9015124

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 4/20 0.40
ABCC8 Q09428 3/20 0.38
KCNJ11 Q14654 3/20 0.38
NR1D1 P20393 1/20 0.37
HCRTR1 O43613 1/20 0.35
PKM P14618 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
ARF6 P62330 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 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
SCHEMBL9015058 0.95 PSD (0.43) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015102 0.90 PSD (0.50) PSDABCC8KCNJ11PKMALDH1A1
SCHEMBL9015086 0.90 ABCC8 (0.47) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015077 0.90 ABCC8 (0.47) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015048 0.89 PSD (0.40) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015127 0.85 MAPT (0.40) PSDABCC8KCNJ11KCNQ3KCNQ2
SCHEMBL9015168 0.85 PSD (0.45) PSDABCC8KCNJ11ARF6ALDH1A1
SCHEMBL9015123 0.85 PSD (0.39) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015076 0.85 PSD (0.44) PSDABCC8KCNJ11HCRTR1PKM
SCHEMBL9015144 0.85 PSD (0.42) 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