SCHEMBL9316192

SCHEMBL9316192

N#Cn1cc(Br)c(Br)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.39
MAPK14 Q16539 1/20 0.37
CYP1B1 Q16678 1/20 0.35
KMO O15229 2/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.31
MAPT P10636 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL8994492 0.69 MAPK14 (0.46) AHRMAPK14CYP1B1KMOLMNA
SCHEMBL8994490 0.68 MAPK14 (0.42) AHRMAPK14CYP1B1KMOLMNA
SCHEMBL9019133 0.67 MAPK14 (0.41) AHRMAPK14CYP1B1KMOLMNA
SCHEMBL9019127 0.66 MAOB (0.43) AHRMAPK14CYP1B1KMOLMNA
SCHEMBL9316754 0.65 AHR (0.38) AHRMAPK14CYP1B1KMOLMNA
SCHEMBL9019071 0.64 MAOB (0.39) AHRMAPK14CYP1B1KMOLMNA
SCHEMBL27260508 0.64 AHR (0.41) AHRMAPK14CYP1B1KMOALDH1A1
SCHEMBL9019167 0.62 MAPK14 (0.40) AHRMAPK14CYP1B1KMOLMNA
SCHEMBL9222935 0.62 AHR (0.39) AHRMAPK14CYP1B1KMOLMNA
SCHEMBL9316592 0.62 PTGS1 (0.37) AHRMAPK14CYP1B1KMOMEN1

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
US-5310938-A Miticides, insecticides, parasiticides, and anthelmintics AMERICAN CYANAMID COMPANY (US) 1994-05-10 US claimed