SCHEMBL5074339

SCHEMBL5074339

O=C(OCCN1CCNCC1)OC1CC2C=CC1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL5079282 0.85 ATM (0.42) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL2138120 0.80 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL5352666 0.76 KDM4E (0.33) KMT2AKDM4EALDH1A1EPHX2LMNA
SCHEMBL9423512 0.74 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL5365496 0.73 ALDH1A1 (0.37) KDM4EALDH1A1TDP1MAPTEPHX2
SCHEMBL2140681 0.73 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL14449006 0.72 KDM4E (0.47) KMT2AKDM4EALDH1A1TDP1EPHX2
SCHEMBL4402348 0.72 KDM4E (0.47) KMT2AKDM4EALDH1A1TDP1EPHX2
SCHEMBL5347727 0.72 ALDH1A1 (0.39) KMT2AKDM4EALDH1A1EPHX2LMNA
SCHEMBL5076832 0.72 CHRM2 (0.38) KDM4EALDH1A1MAPTLMNACYP3A4

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-1937734-A2 BIOCIDAL POLYMERS KE-KELIT Kunststoffwerk Gesellschaft m.b.H. (AT) 2008-07-02 EP disclosed
WO-2007045634-A2 BIOCIDAL POLYMERS KE KELIT KUNSTSTOFFWERK GESMBH (AT) 2007-04-26 WO disclosed