SCHEMBL9446459

SCHEMBL9446459

N#CC(Br)=Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
TRPA1 O75762 1/20 0.46
GLA P06280 1/20 0.45
KIF20A O95235 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 2/20 0.42
CISD1 Q9NZ45 1/20 0.42
FBP1 P09467 1/20 0.41
HSP90AA1 P07900 1/20 0.41
EGFR P00533 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL9446456 1.00 MAPT (0.48) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL987696 0.80 MAPT (0.77) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL9015118 0.77 MCL1 (0.52) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL2000510 0.77 MCL1 (0.52) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL28668178 0.77 MAPT (0.46) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL11761824 0.77 GABRA1 (0.58) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL11761830 0.77 GABRA1 (0.58) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL1503839 0.77 TRPA1 (0.52) ALDH1A1LMNATRPA1HTTFBP1
SCHEMBL28692843 0.75 MAPT (0.45) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL13485321 0.75 ESR1 (0.69) MAPTKDM4ENPSR1MEN1KMT2A

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
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