SCHEMBL23958829

SCHEMBL23958829

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.38
MRGPRX4 Q96LA9 1/20 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
MAPT P10636 3/20 0.34
USP2 O75604 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALPL P05186 3/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 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

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
SCHEMBL23958836 0.87 AURKA (0.35) MRGPRX4CA12CA1CA2CA7
SCHEMBL23958596 0.85 MAPT (0.44) CA12CA1CA2CA7CA9
SCHEMBL23958822 0.82 KDM4E (0.39) CA12CA1CA2CA7CA9
SCHEMBL23958621 0.79 PDE4B (0.38) HSD17B10
SCHEMBL25564365 0.78 NOTUM (0.46) NOTUMMRGPRX4CA12CA1CA2
SCHEMBL23958612 0.77 MAOA (0.33) MAPT
SCHEMBL14914880 0.77 ALPL (0.43) NOTUMMRGPRX4CA12CA1CA2
SCHEMBL29422733 0.77 ALPL (0.43) NOTUMMRGPRX4CA12CA1CA2
SCHEMBL24901671 0.77 NOTUM (0.49) NOTUMMRGPRX4CA12CA1CA2
SCHEMBL23958630 0.75 MAPT (0.40) CA12CA1CA2CA7CA9

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