SCHEMBL23918236

SCHEMBL23918236

Nc1nnc(-c2ccc(P)cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.66
MGAM O43451 5/20 0.66
GAA P10253 5/20 0.66
SI P14410 5/20 0.66
MGAM2 Q2M2H8 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
ALDH1A1 P00352 4/20 0.66
LMNA P02545 2/20 0.66
NOTUM Q6P988 1/20 0.66
HSD17B10 Q99714 3/20 0.62
HPGD P15428 2/20 0.62
RAB9A P51151 6/20 0.59
NPC1 O15118 4/20 0.59
MAPT P10636 3/20 0.59
TP53 P04637 2/20 0.59
CSNK2A2 P19784 1/20 0.58
CSNK2B P67870 1/20 0.58
CSNK2A1 P68400 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.55

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
SCHEMBL17725821 0.83 KDM4E (0.66) KDM4EMGAMGAASIMGAM2
SCHEMBL28851907 0.83 KDM4E (0.70) KDM4EMGAMGAASIMGAM2
SCHEMBL6538646 0.79 KDM4E (0.66) KDM4EMGAMGAASIMGAM2
SCHEMBL6902047 0.79 ALDH1A1 (1.00) KDM4EMGAMGAASIMGAM2
SCHEMBL1143313 0.79 KDM4E (0.66) KDM4EMGAMGAASIMGAM2
SCHEMBL1143676 0.79 KDM4E (1.00) KDM4EMGAMGAASIMGAM2
SCHEMBL11340093 0.79 MGAM (1.00) KDM4EMGAMGAASIMGAM2
SCHEMBL474273 0.79 KDM4E (0.66) KDM4EMGAMGAASIMGAM2
SCHEMBL45441 0.78 KDM4E (0.67) KDM4EMGAMGAASIMGAM2
SCHEMBL28040565 0.78 KDM4E (0.63) KDM4EMGAMGAASIMGAM2

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-3892622-A1 COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2021-10-13 EP disclosed