SCHEMBL9645824

SCHEMBL9645824

O=C(c1ccccc1)N1CCN(Cc2ccccc2)CCN(C(=O)c2ccccc2)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.94
ALDH1A1 P00352 1/20 0.94
MEN1 O00255 4/20 0.85
KMT2A Q03164 4/20 0.85
LMNA P02545 3/20 0.85
MAPK1 P28482 2/20 0.85
SMN1; SMN2 Q16637 2/20 0.85
TSHR P16473 1/20 0.85
L3MBTL1 Q9Y468 1/20 0.85
CHRM2 P08172 1/20 0.75
CHRM3 P20309 1/20 0.75
SIGMAR1 Q99720 1/20 0.74
CA12 O43570 1/20 0.72
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA7 P43166 1/20 0.72
CA9 Q16790 1/20 0.72
CA14 Q9ULX7 1/20 0.72
KCNH2 Q12809 1/20 0.71
NPC1 O15118 1/20 0.71

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
SCHEMBL1019998 1.00 KDM4E (0.94) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL13149349 0.91 KDM4E (0.78) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4486386 0.91 KDM4E (0.78) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4515670 0.89 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL4516322 0.89 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL25041158 0.89 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL20121634 0.89 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL7474168 0.89 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL17696082 0.89 KDM4E (0.76) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL12452433 0.89 ALDH1A1 (0.76) KDM4EALDH1A1MEN1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255471-B1 1,4,7,10-TETRAAZACYCLODODECANE-DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1992-09-09 EP disclosed