SCHEMBL9316607

SCHEMBL9316607

N#Cn1c(-c2ccc(Cl)c(Cl)c2)cc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.45
CYP1B1 Q16678 1/20 0.39
KMO O15229 4/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 2/20 0.36
NOTUM Q6P988 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL9316754 0.76 AHR (0.38) AHRCYP1B1KMONPC1RAB9A
SCHEMBL9316592 0.76 PTGS1 (0.37) AHRCYP1B1KMOMEN1KMT2A
SCHEMBL9518713 0.72 AHR (0.50) AHRCYP1B1KMONPC1RAB9A
SCHEMBL9222935 0.70 AHR (0.39) AHRCYP1B1KMOKDM4EALDH1A1
SCHEMBL9519411 0.68 AHR (0.45) AHRCYP1B1NPC1RAB9AKDM4E
SCHEMBL9472032 0.68
SCHEMBL27259909 0.67 AR (0.51) AHRCYP1B1KMOALOX15LMNA
SCHEMBL137915 0.66 AHR (1.00) AHRCYP1B1KMONPC1RAB9A
SCHEMBL29769221 0.66 AHR (1.00) AHRCYP1B1KMONPC1RAB9A
SCHEMBL27259911 0.66 AHR (0.42) AHRCYP1B1KMONPC1RAB9A

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
EP-0347488-B1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID CO (US) 1994-06-01 EP claimed
US-5310938-A Miticides, insecticides, parasiticides, and anthelmintics AMERICAN CYANAMID COMPANY (US) 1994-05-10 US claimed