SCHEMBL9015053

SCHEMBL9015053

Cn1c(-c2ccc(Cl)cc2)c([N+](=O)[O-])c(-c2ccc(Cl)c(Cl)c2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 7/20 0.39
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 3/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL9015107 0.83 PSD (0.37) PSDALDH1A1TSHRMEN1KMT2A
SCHEMBL9015114 0.81 PSD (0.35) PSDMEN1KMT2A
SCHEMBL9446444 0.80 PSD (0.37) PSDALDH1A1AKR1C3AKR1C2
SCHEMBL9015140 0.77 PSD (0.33) PSD
SCHEMBL9015142 0.74 PSD (0.44) PSDALDH1A1TSHRMEN1KMT2A
SCHEMBL9015076 0.71 PSD (0.44) PSDALDH1A1TSHRMEN1KMT2A
SCHEMBL9015099 0.69 PSD (0.47) PSDALDH1A1TSHRMEN1KMT2A
SCHEMBL9015144 0.69 PSD (0.42) PSDALDH1A1TSHRMEN1KMT2A
SCHEMBL7508807 0.69 LMNA (0.34) PSDALDH1A1MEN1KMT2APTGS2
SCHEMBL9840566 0.69 MAPT (0.40) ALDH1A1TSHRMEN1KMT2APTGS2

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