SCHEMBL12814728

SCHEMBL12814728

CCC1=C(c2ccc(Cl)c(Cl)c2)C(=O)N=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.41
AHR P35869 4/20 0.41
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
NOTUM Q6P988 3/20 0.36
CYP1B1 Q16678 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAP3K14 Q99558 1/20 0.35
KMO O15229 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL12814356 0.78 ALKBH3 (0.47) ALKBH3AHRMEN1HTTKMT2A
SCHEMBL12603805 0.64 AHR (0.61) AHRCYP1B1PGR
SCHEMBL6160896 0.62 NPY5R (0.44) ALKBH3AHRMEN1HTTKMT2A
SCHEMBL29769221 0.62 AHR (1.00) AHRMEN1HTTKMT2AKDM4E
SCHEMBL137915 0.62 AHR (1.00) AHRMEN1HTTKMT2AKDM4E
SCHEMBL9288019 0.62 TRPA1 (0.49) AHRCYP1B1NPC1RAB9ASLC6A3
SCHEMBL3643597 0.61 CTRC (0.32)
SCHEMBL1021572 0.61 PTGS2 (0.38) ALKBH3AHRMEN1HTTKMT2A
SCHEMBL17826990 0.60 AHR (0.43) AHRKDM4EMAPTNOTUMCYP1B1
SCHEMBL28001217 0.60 AHR (0.48) ALKBH3AHRMEN1HTTKMT2A

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-2691815-A1 TONER Canon Kabushiki Kaisha (JP) 2014-02-05 EP disclosed
WO-2012133471-A1 TONER CANON KABUSHIKI KAISHA (JP) 2012-10-04 WO disclosed