SCHEMBL16006937

SCHEMBL16006937

C=Cc1ccnc(CNCCC)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 9/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ ALOX15 P16050 1/20 0.32
▸ KDM5B Q9UGL1 4/20 0.32
▸ KDM5A P29375 3/20 0.32
▸ KDM5C P41229 3/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ SCN8A Q9UQD0 1/20 0.31
▸ KDM5D Q9BY66 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ S1PR1 P21453 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
SCHEMBL9764334 0.78 KDM4E (0.49) KDM4ELMNA
SCHEMBL321696 0.78 CYP1A2 (0.44) KDM4ELMNA
Iodide SCHEMBL27088326 0.76 CYP1A2 (0.43) KDM4ELMNA
Bromide SCHEMBL28155749 0.76 CYP1A2 (0.43) KDM4ELMNA
SCHEMBL9764204 0.76 LMNA (0.39) KDM5BKDM5AKDM4EKDM4CLMNA
SCHEMBL3696387 0.73 KCNH2 (0.43) KDM4ELMNA
SCHEMBL28167678 0.73 KCNH2 (0.43) KDM4ELMNA
SCHEMBL28290080 0.73 KCNH2 (0.43) KDM4ELMNA
SCHEMBL24258324 0.72 SIRT2 (0.43) SIRT2SCN8A
SCHEMBL15104622 0.72 SIRT2 (0.45) SIRT2CHRM2KDM5BKDM5CKDM4A

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
WO-2014131777-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-09-04 — — WO disclosed
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