SCHEMBL9316754

SCHEMBL9316754

N#Cc1c(Br)cc(-c2ccc(Cl)c(Cl)c2)n1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.38
AR P10275 1/20 0.38
KMO O15229 2/20 0.37
MAPK14 Q16539 1/20 0.36
ALOX15 P16050 2/20 0.35
CYP1B1 Q16678 1/20 0.34
RPA1 P27694 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NFKB1 P19838 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB2 Q00653 2/20 0.33
KMT2A Q03164 2/20 0.33
RELA Q04206 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL9316592 0.78 PTGS1 (0.37) AHRKMOMAPK14ALOX15CYP1B1
SCHEMBL9316607 0.76 AHR (0.45) AHRARKMOMAPK14ALOX15
SCHEMBL27259909 0.68 AR (0.51) AHRARKMOMAPK14ALOX15
SCHEMBL27259911 0.67 AHR (0.42) AHRARKMOMAPK14ALOX15
SCHEMBL9702708 0.67 RPA1 (0.44) KMORPA1NOTUMEIF4E
SCHEMBL9019127 0.65 MAOB (0.43) AHRARKMOMAPK14ALOX15
SCHEMBL9222935 0.65 AHR (0.39) AHRKMOMAPK14ALOX15CYP1B1
SCHEMBL9316192 0.65 AHR (0.39) AHRKMOMAPK14ALOX15CYP1B1
SCHEMBL9019065 0.63 RPA1 (0.41) KMORPA1NOTUMEIF4E
SCHEMBL9316723 0.63 PTGS1 (0.38) ARMEN1ALDH1A1KMT2AKDM4E

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