SCHEMBL8561458

SCHEMBL8561458

O=CNC1CNc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MAPK1 P28482 6/20 0.41
HDAC8 Q9BY41 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1A P07327 1/20 0.33

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
SCHEMBL8561460 1.00 EPHX2 (0.52) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8561461 1.00 EPHX2 (0.52) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL11635763 0.84 EPHX2 (0.41) EPHX2MTNR1AMTNR1BMAPK1CA1
SCHEMBL1600966 0.78 CA1 (0.48) MTNR1AMTNR1BMAPTCA1CA2
SCHEMBL4798460 0.77 EPHX2 (0.56) EPHX2MTNR1AMTNR1BMAPK1BRD4
SCHEMBL4798922 0.77 EPHX2 (0.56) EPHX2MTNR1AMTNR1BMAPK1BRD4
SCHEMBL429344 0.75 EPHX2 (0.66) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8568435 0.74 EPHX2 (0.68) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL4830429 0.74 EPHX2 (0.68) EPHX2MTNR1AMTNR1BMAPK1HDAC8
SCHEMBL8568429 0.74 EPHX2 (0.68) EPHX2MTNR1AMTNR1BMAPK1HDAC8

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed