SCHEMBL21436764

SCHEMBL21436764

Cc1nccc(C(C)C(N)=O)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CXCL8 P10145 1/20 0.36
P2RX7 Q99572 1/20 0.35
DYRK1A Q13627 1/20 0.33
IDO1 P14902 1/20 0.33
NR3C2 P08235 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
FLT4 P35916 6/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
LIMK1 P53667 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10222482 0.76 CYP2A6 (0.35) NOS3NOS2
SCHEMBL4601709 0.73 NTRK1 (0.38) MKNK1MKNK2P2RX7NR3C2CCNC
SCHEMBL28290525 0.72 SIRT3 (0.43) EPHX1CXCL8DYRK1AKMT2ACCNC
SCHEMBL353138 0.71 SIRT3 (0.46) MKNK1MKNK2P2RX7CCNCCDK8
SCHEMBL10530090 0.71 TSHR (0.45) IDO1TDP1
SCHEMBL10002398 0.70 CXCL8 (0.42) EPHX1MKNK1MKNK2CXCL8P2RX7
SCHEMBL14895899 0.70 IKBKB (0.49) MKNK2CDK8LIMK1
SCHEMBL10528224 0.70 CYP19A1 (0.59)
SCHEMBL10527566 0.70 TSHR (0.47) IDO1
Hydrochloric Acid SCHEMBL5796678 0.69 SIRT3 (0.44) MKNK1MKNK2P2RX7CCNCCDK8

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-3774780-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2021-02-17 EP disclosed
WO-2019193342-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2019-10-10 WO disclosed