SCHEMBL7941015

SCHEMBL7941015

C/C=C(\OCC)c1ccc(C(=O)OC)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
P4HTM Q9NXG6 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR1 P03372 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL7356681 0.85 MAPK1 (0.75) MAPK1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL1004608 0.81 MAPK1 (0.64) MAPK1L3MBTL1KDM4EP4HTMNPC1
SCHEMBL29508473 0.78 MAPK1 (1.00) MAPK1L3MBTL1KDM4EP4HTMNPC1
SCHEMBL69747 0.78 MAPK1 (1.00) MAPK1L3MBTL1KDM4EP4HTMNPC1
SCHEMBL29637478 0.77 MAPK1 (0.61) MAPK1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL1971939 0.77 MAPK1 (0.61) MAPK1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL24775612 0.75 MAPK1 (0.64) MAPK1L3MBTL1KDM4EP4HTMNPC1
SCHEMBL989398 0.75 MAPK1 (0.79) MAPK1L3MBTL1KDM4EP4HTMCA12
SCHEMBL64024 0.75 MAPK1 (0.79) MAPK1L3MBTL1KDM4EP4HTMMAPT
SCHEMBL29826109 0.75 MAPK1 (0.79) MAPK1L3MBTL1KDM4EP4HTMMAPT

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-2010017079-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2010-02-11 WO disclosed