SCHEMBL2914499

SCHEMBL2914499

Cc1cncc(C2=NC(C)(C)Cc3ccccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
APAF1 O14727 1/20 0.49
MITF O75030 1/20 0.49
TDP2 O95551 1/20 0.49
NSD2 O96028 1/20 0.49
MPI P34949 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
CYP2D6 P10635 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2914862 0.85 KDM4E (0.48) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2908703 0.83 KDM4E (0.46) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2912119 0.82 MAPT (0.45) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2914792 0.81 KDM4E (0.44) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2905923 0.81 KDM4E (0.49) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL20011497 0.77 KDM4E (0.51) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL15944503 0.77 ALDH1A1 (0.44) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL2913499 0.77 KDM4E (0.48) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL15910477 0.76 PSMB5 (0.53) KDM4ESMN1; SMN2MAPTAPAF1MITF
SCHEMBL4522982 0.76 LMNA (0.50) 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