SCHEMBL8540428

SCHEMBL8540428

OC[C@H](Cc1ccccc1)NF

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 1/20 0.53
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
TRPA1 O75762 1/20 0.48
EPHX1 P07099 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
RPS6KA5 O75582 1/20 0.44
RPS6KA4 O75676 1/20 0.44
PRKACA P17612 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
IRAK1 P51617 1/20 0.44
PRKX P51817 1/20 0.44
PRKG1 Q13976 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
SCHEMBL8540424 1.00 MAPK1 (0.53) MAPK1CYP3A4KMT2AKDM4EMEN1
SCHEMBL7348151 0.85 MAPK1 (0.58) MAPK1CYP3A4KMT2AKDM4EMEN1
SCHEMBL7345520 0.85 MAPK1 (0.58) MAPK1CYP3A4KMT2AKDM4EMEN1
SCHEMBL26014304 0.81 KMT2A (0.57) MAPK1CYP3A4KMT2AKDM4EMEN1
SCHEMBL7350419 0.81 MAPK1 (0.54) MAPK1CYP3A4KMT2AKDM4EMEN1
SCHEMBL10832584 0.81 MAPK1 (0.54) MAPK1CYP3A4KMT2AKDM4EMEN1
SCHEMBL7350410 0.81 MAPK1 (0.54) MAPK1CYP3A4KMT2AKDM4EMEN1
SCHEMBL18332505 0.81 MAPK1 (0.54) MAPK1CYP3A4KMT2AKDM4EMEN1
SCHEMBL1488576 0.79 MAPK1 (0.53) MAPK1CYP3A4KMT2AKDM4EMEN1
SCHEMBL693965 0.79 MAPK1 (0.57) MAPK1CYP3A4KMT2AKDM4EMEN1

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
EP-0873308-A1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS, THEIR PHARMACEUTICALLY USEFUL SALTS AND PROCESS FOR PREPARING THE SAME SK Corporation (KR) 1998-10-28 EP disclosed
WO-1998015526-A1 O-CARBAMOYL-PHENYLALANINOL COMPOUNDS, THEIR PHARMACEUTICALLY USEFUL SALTS AND PROCESS FOR PREPARING THE SAME SK CORPORATION (KR) 1998-04-16 WO disclosed