SCHEMBL2914538

SCHEMBL2914538

C=Cc1ccc(C2=NC(C)(C)Cc3ccccc32)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
APAF1 O14727 1/20 0.46
MITF O75030 1/20 0.46
TDP2 O95551 1/20 0.46
NSD2 O96028 1/20 0.46
MPI P34949 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 5/20 0.45
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 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
SCHEMBL2908942 0.80 KDM4E (0.49) KDM4EMAPTAPAF1MITFTDP2
SCHEMBL2908627 0.79 KDM4E (0.48) KDM4EMAPTAPAF1MITFTDP2
SCHEMBL2905460 0.79 KDM4E (0.48) KDM4EMAPTAPAF1MITFTDP2
SCHEMBL2909343 0.78 KDM4E (0.47) KDM4EMAPTAPAF1MITFTDP2
SCHEMBL2906662 0.77 KDM4E (0.46) KDM4EMAPTAPAF1MITFTDP2
SCHEMBL2908018 0.77 KDM4E (0.46) KDM4EMAPTAPAF1MITFTDP2
SCHEMBL2912119 0.76 MAPT (0.45) KDM4EMAPTAPAF1MITFTDP2
SCHEMBL2905923 0.75 KDM4E (0.49) KDM4EMAPTAPAF1MITFTDP2
SCHEMBL2913499 0.74 KDM4E (0.48) KDM4EMAPTAPAF1MITFTDP2
SCHEMBL4522982 0.73 LMNA (0.50) KDM4EMAPTAPAF1MITFTDP2

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