SCHEMBL9987905

SCHEMBL9987905

O=C(Oc1cccc(OC2CC2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 1/20 0.51
OPRK1 P41145 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EPHX2 P34913 2/20 0.47
KAT6A Q92794 1/20 0.47
GRM5 P41594 1/20 0.46
MAPK1 P28482 1/20 0.46
PARP10 Q53GL7 1/20 0.45
NSD2 O96028 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL9987286 0.94 KAT6A (0.54) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL9987314 0.85 KAT6A (0.57) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL1785471 0.85 KMT2A (0.69) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL6480334 0.81 USP30 (0.53) KMT2AMEN1ALDH1A1
SCHEMBL29505911 0.80 EPHX2 (0.65) KMT2AMEN1OPRK1EPHX2KAT6A
SCHEMBL29177314 0.79 MEN1 (0.69) KMT2AMEN1OPRK1EPHX2PARP10
SCHEMBL23487601 0.78 POLB (0.65) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL2755026 0.77 KMT2A (0.68) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL7228791 0.77 SLC6A4 (0.52) OPRK1EPHX2
SCHEMBL8435530 0.77 MAPT (0.68) KMT2AMEN1MAPTTDP1ALDH1A1

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
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed