SCHEMBL23958822

SCHEMBL23958822

COC(=O)c1cc(/C=C(/C)N)c(N)c(OC(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
HTT P42858 1/20 0.39
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
NR1I2 O75469 1/20 0.35
MAPT P10636 5/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
NFKB1 P19838 1/20 0.33
XDH P47989 1/20 0.33
GFER P55789 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL23958596 0.85 MAPT (0.44) KDM4EPOLBL3MBTL1MAPTCA12
SCHEMBL23958829 0.82 NOTUM (0.38) KDM4EHTTPOLBL3MBTL1MAPT
SCHEMBL23958621 0.81 PDE4B (0.38) HSD17B10
SCHEMBL23958630 0.78 MAPT (0.40) KDM4EHTTPOLBL3MBTL1MAPT
SCHEMBL18033140 0.77 POLB (0.41) KDM4EHTTPOLBL3MBTL1NR1I2
SCHEMBL31160054 0.76 MAPT (0.43) KDM4EPOLBL3MBTL1NR1I2MAPT
SCHEMBL18033225 0.74 POLB (0.39) KDM4EHTTPOLBL3MBTL1NR1I2
SCHEMBL18969560 0.74 USP2 (0.46) KDM4EPOLBL3MBTL1NR1I2MAPT
SCHEMBL3988566 0.71 MAPT (0.53) KDM4EPOLBL3MBTL1NR1I2MAPT
SCHEMBL18940642 0.70 USP2 (0.43) KDM4EPOLBL3MBTL1NR1I2MAPT

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-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed