SCHEMBL2914065

SCHEMBL2914065

CCc1ncc(C2=NC(C)(C)Cc3ccccc32)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 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 4/20 0.44
ALDH1A1 P00352 4/20 0.42
PKM P14618 1/20 0.41
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 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
SCHEMBL2912081 0.88 KDM4E (0.44) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2905923 0.86 KDM4E (0.49) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2908134 0.83 KDM4E (0.47) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2905460 0.80 KDM4E (0.48) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL15910549 0.78 LMNA (0.45) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL20011497 0.78 KDM4E (0.51) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2908703 0.78 KDM4E (0.46) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL4517075 0.77 LMNA (0.46) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2913499 0.77 KDM4E (0.48) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL15910477 0.76 PSMB5 (0.53) KDM4ESMN1; SMN2MAPTAPAF1MITF

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