SCHEMBL9015162

SCHEMBL9015162

N#C/C=C/c1cccc(Br)c1Br

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.32
DYRK1A Q13627 1/20 0.30

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
SCHEMBL2000509 0.83 HSD11B1 (0.48) ENPP2HSD11B1KDM4E
SCHEMBL21457575 0.83 HSD11B1 (0.48) ENPP2HSD11B1KDM4E
SCHEMBL26709208 0.79 MEN1 (0.33) ENPP2HSD11B1KDM4E
SCHEMBL10383610 0.75 KDM4E (0.40) ENPP2KDM4E
SCHEMBL29047693 0.74 HSD11B1 (0.42) HSD11B1
SCHEMBL16933971 0.69 HSD11B1 (0.34) HSD11B1
SCHEMBL297693 0.69 NFE2L2 (0.50) HSD11B1
SCHEMBL11813801 0.69 CDK4 (0.48) HSD11B1KDM4E
SCHEMBL16933968 0.69 HSD11B1 (0.34) HSD11B1
SCHEMBL4951414 0.69 NFE2L2 (0.50) HSD11B1

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 4 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 disclosed
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
EP-0487870-A2 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1992-06-03 EP disclosed