SCHEMBL9399353

SCHEMBL9399353

CO/C=C(/C(=O)OC)N(C)c1cccc(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
ADORA3 P0DMS8 1/20 0.39
CNR1 P21554 5/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMO Q99835 1/20 0.36
CNR2 P34972 2/20 0.36
TACR3 P29371 2/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL7527226 1.00 USP30 (0.43) USP30ADORA3CNR1ALDH1A1MEN1
SCHEMBL10446858 0.90 USP30 (0.44) USP30ADORA3CNR1ALDH1A1MEN1
SCHEMBL10446857 0.90 USP30 (0.44) USP30ADORA3CNR1ALDH1A1MEN1
SCHEMBL9865578 0.89 CNR1 (0.45) CNR1RAB9ACNR2
SCHEMBL8737258 0.89 CNR1 (0.45) CNR1RAB9ACNR2
SCHEMBL9163369 0.89 CNR1 (0.45) CNR1RAB9ACNR2
SCHEMBL9865045 0.85 HSD17B1 (0.37) CNR1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL9865037 0.85 HSD17B1 (0.37) CNR1ALDH1A1MEN1RAB9AKMT2A
SCHEMBL9866708 0.84 CNR1 (0.40) CNR1KDM4E
SCHEMBL9469930 0.81 MAPK8 (0.38) MEN1RAB9AKMT2ASMOTACR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008275-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US claimed
JP-2235867-A None JP disclosed
US-5310919-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-05-10 US disclosed
US-5120734-A FUNGICIDAL PYRID-2-YL-AMINO ACETIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed
US-5008275-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
JP-H02235867-A PYRIDYL-SUBSTITUTED ACRYLIC ESTER COMPOUND BAYER AG 1990-09-18 JP disclosed