SCHEMBL9015079

SCHEMBL9015079

N#Cc1[nH]c(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.49
MAPK14 Q16539 5/20 0.49
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
HTT P42858 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MET P08581 1/20 0.45
KDR P35968 1/20 0.45
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL9224302 0.70 LRRK2 (0.42) ALDH1A1KDM4EHPGDNPSR1RXFP1
SCHEMBL194510 0.70 ALDH1A1 (0.51) GCGRMAPK14ALDH1A1KDM4EMEN1
SCHEMBL28912040 0.68 GCGR (0.82) GCGRMAPK14
SCHEMBL28522401 0.67 MAPK14 (0.54) GCGRMAPK14ALDH1A1KDM4EMEN1
SCHEMBL9227791 0.67 AHR (0.39) GCGRMAPK14ALDH1A1KDM4EMEN1
SCHEMBL28510561 0.66 MAOA (0.52) GCGRMAPK14ALDH1A1KDM4EMEN1
SCHEMBL3566704 0.66 KDM4E (0.73) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL1541402 0.66 ESR2 (0.66) CYP1A2
SCHEMBL2646773 0.66 GCGR (1.00) GCGRMAPK14
SCHEMBL194014 0.66 MCL1 (0.46) GCGRALDH1A1KDM4EMEN1KMT2A

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