SCHEMBL28114320

SCHEMBL28114320

N#COCc1cccc(OC#N)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.41
AGXT P21549 4/20 0.41
MAOB P27338 5/20 0.37
F2 P00734 2/20 0.36
NR4A2 P43354 1/20 0.36
CYP3A4 P08684 2/20 0.35
MRGPRX4 Q96LA9 3/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL3061745 0.84 MEN1 (0.46) IDO1AGXTF2CYP3A4MRGPRX4
SCHEMBL158382 0.82 CHRM2 (0.38) IDO1AGXTMEN1KMT2A
SCHEMBL3890177 0.82 FFAR1 (0.49) MAOB
SCHEMBL28286056 0.79 PNMT (0.44) IDO1AGXTMAOB
SCHEMBL14730561 0.79 TSHR (0.44) MRGPRX4MEN1KMT2ACYP4F2CYP4A11
SCHEMBL26009 0.77 KMT2A (0.41) CYP3A4MEN1KMT2ACYP4F2CYP4A11
SCHEMBL10689733 0.77 FFAR4 (0.42) AGXTMAOBNR4A2
SCHEMBL24293067 0.77 MEN1 (0.41) IDO1AGXTF2CYP3A4MRGPRX4
SCHEMBL7906836 0.76 MEN1 (0.38) MEN1KMT2ACYP4F2CYP4A11
SCHEMBL22132955 0.76 MEN1 (0.48) IDO1AGXTF2CYP3A4MRGPRX4

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
CN-104650539-B Resin composition 味之素株式会社 2019-06-07 CN disclosed
CN-106317777-A Resin composition 味之素株式会社 2017-01-11 CN disclosed