SCHEMBL25949654

SCHEMBL25949654

Cn1ccc2c1CCCN2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
HRH1 P35367 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSMB5 P28074 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32

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
SCHEMBL20571761 0.76 PSMB5 (0.49) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL21672469 0.76 KDM4E (0.30) MAPTKDM4EALDH1A1LMNATP53
Hydrochloric Acid SCHEMBL30529512 0.74 PSMB5 (0.48) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL19031641 0.72 MAPT (0.44) MAPTALDH1A1GAATDP1CA9
SCHEMBL7420610 0.68 GRIA1 (0.39) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL25949532 0.68 MAPT (0.33) HRH3MAPTKDM4EALDH1A1LMNA
SCHEMBL7420662 0.67 MAPT (0.44) HRH3MAPTKDM4EALDH1A1LMNA
SCHEMBL7496406 0.67 ACHE (0.39) KDM4EALDH1A1LMNAHTTDRD2
SCHEMBL15569945 0.67 PLK1 (0.44) HRH3UHRF1
SCHEMBL13326543 0.66

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-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed