SCHEMBL9987286

SCHEMBL9987286

O=C(Oc1cccc(OC2CCCC2)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.54
KMT2A Q03164 9/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
OPRK1 P41145 2/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX2 P34913 1/20 0.44
OPRM1 P35372 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRM5 P41594 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL9987905 0.94 KMT2A (0.54) KAT6AKMT2AALDH1A1MEN1MAPT
SCHEMBL9987314 0.91 KAT6A (0.57) KAT6AKMT2AALDH1A1MEN1MAPT
SCHEMBL1785471 0.82 KMT2A (0.69) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL30162751 0.81 EPHX2 (0.59) KAT6AKMT2AMEN1OPRK1EPHX2
SCHEMBL930213 0.81 EPHX2 (0.59) KAT6AKMT2AMEN1OPRK1EPHX2
SCHEMBL23487601 0.81 POLB (0.65) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL931638 0.80 EPHX2 (0.57) KAT6AKMT2AMEN1OPRK1EPHX2
SCHEMBL30575465 0.80 EPHX2 (0.57) KAT6AKMT2AMEN1OPRK1EPHX2
SCHEMBL930820 0.80 EPHX2 (0.57) KAT6AKMT2AMEN1OPRK1EPHX2
SCHEMBL9005535 0.80 EPHX2 (0.57) KAT6AKMT2AMEN1OPRK1EPHX2

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