SCHEMBL9015102

SCHEMBL9015102

O=[N+]([O-])c1ccc(-c2c(C(F)(F)F)[nH]c(-c3ccc(Cl)cc3)c2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 10/20 0.50
ABCC8 Q09428 2/20 0.49
KCNJ11 Q14654 2/20 0.49
GYS1 P13807 1/20 0.41
MAPT P10636 3/20 0.40
MCL1 Q07820 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPBWR1 P48145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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) PSDABCC8KCNJ11GYS1PKM
SCHEMBL9015077 0.90 ABCC8 (0.47) PSDABCC8KCNJ11PKMCYP1A2
SCHEMBL9015124 0.90 PSD (0.40) PSDABCC8KCNJ11PKMTDP1
SCHEMBL9015086 0.90 ABCC8 (0.47) PSDABCC8KCNJ11PKMCYP1A2
SCHEMBL9015048 0.89 PSD (0.40) PSDABCC8KCNJ11PKM
SCHEMBL9015094 0.87 PSD (0.52) PSDABCC8KCNJ11MAPTMEN1
SCHEMBL9015127 0.85 MAPT (0.40) PSDABCC8KCNJ11MAPTALDH1A1
SCHEMBL9015168 0.85 PSD (0.45) PSDABCC8KCNJ11GYS1MEN1
SCHEMBL9015076 0.85 PSD (0.44) PSDABCC8KCNJ11GYS1MEN1
SCHEMBL9015123 0.85 PSD (0.39) PSDABCC8KCNJ11PKMALDH1A1

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 2 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-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed