SCHEMBL2911673

SCHEMBL2911673

COc1ncc(C2=NC(C)(C)Cc3ccccc32)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
APAF1 O14727 1/20 0.44
MITF O75030 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
MPI P34949 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 6/20 0.44
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.41
GAA P10253 5/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
MEN1 O00255 1/20 0.36
CASP1 P29466 1/20 0.35

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
SCHEMBL29675206 0.88 KDM4E (0.44) MAPTKDM4ESMN1; SMN2APAF1MITF
SCHEMBL18425278 0.88 KDM4E (0.44) MAPTKDM4ESMN1; SMN2APAF1MITF
SCHEMBL2913499 0.85 KDM4E (0.48) MAPTKDM4ESMN1; SMN2APAF1MITF
SCHEMBL2912081 0.81 KDM4E (0.44) MAPTKDM4ESMN1; SMN2APAF1MITF
SCHEMBL2908942 0.78 KDM4E (0.49) MAPTKDM4ESMN1; SMN2APAF1MITF
SCHEMBL2905923 0.78 KDM4E (0.49) MAPTKDM4ESMN1; SMN2APAF1MITF
SCHEMBL4518567 0.77 LMNA (0.44) MAPTKDM4ESMN1; SMN2APAF1MITF
SCHEMBL15910667 0.77 PDGFRB (0.48) MAPTKDM4ESMN1; SMN2APAF1MITF
SCHEMBL4507229 0.76 LMNA (0.43) MAPTKDM4ESMN1; SMN2APAF1MITF
SCHEMBL4522982 0.76 LMNA (0.50) MAPTKDM4ESMN1; SMN2APAF1MITF

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-2223919-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS AGRICULTURAL AND HORTICULTURAL FUNGICIDES NIPPON SODA CO (JP) 2014-10-15 EP disclosed
EP-2223919-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2010-09-01 EP disclosed