SCHEMBL8994490

SCHEMBL8994490

[CH2]n1c(Cl)c(C#N)c(Br)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
AHR P35869 5/20 0.38
KMO O15229 2/20 0.37
IDO1 P14902 1/20 0.36
CYP1B1 Q16678 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 4/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL8994492 0.83 MAPK14 (0.46) MAPK14AHRKMOIDO1CYP1B1
SCHEMBL9019133 0.75 MAPK14 (0.41) MAPK14AHRKMOIDO1CYP1B1
SCHEMBL9019167 0.74 MAPK14 (0.40) MAPK14AHRKMOIDO1CYP1B1
SCHEMBL8994474 0.72 CCR2 (0.35) MAPK14IDO1MAPTKMT2AMEN1
SCHEMBL9019071 0.71 MAOB (0.39) MAPK14AHRKMOIDO1CYP1B1
SCHEMBL9222935 0.71 AHR (0.39) MAPK14AHRKMOIDO1CYP1B1
SCHEMBL9224323 0.71 MAPK14 (0.40) MAPK14AHRKMOIDO1CYP1B1
SCHEMBL8994475 0.70 MEN1 (0.34) MAPK14MAPTHPGDALDH1A1KMT2A
SCHEMBL9058962 0.70 P2RX3 (0.37) MAPK14IDO1KMT2AMEN1MET
SCHEMBL27260508 0.69 AHR (0.41) MAPK14AHRKMOIDO1CYP1B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594941-B1 N-substituted carbonyoxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed