SCHEMBL23958596

SCHEMBL23958596

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 6/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL23958822 0.85 KDM4E (0.39) MAPTKDM4EPOLBKMT2ALMNA
SCHEMBL23958829 0.85 NOTUM (0.38) MAPTKDM4EPOLBKMT2ALMNA
SCHEMBL23958621 0.84 PDE4B (0.38) HSD17B10
SCHEMBL23958630 0.83 MAPT (0.40) MAPTKDM4EPOLBKMT2ALMNA
SCHEMBL10683847 0.81 KDM4E (0.53) MAPTKDM4EPOLBKMT2ALMNA
SCHEMBL16545267 0.78 KDM4E (0.40) MAPTKDM4EPOLBKMT2ALMNA
SCHEMBL23958599 0.76 ERN1 (0.45) MAPTNPSR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL18031417 0.76 KDM4E (0.53) MAPTKDM4EPOLBKMT2ALMNA
SCHEMBL30418756 0.76 KDM4E (0.53) MAPTKDM4EPOLBKMT2ALMNA
SCHEMBL23905892 0.74 CNR2 (0.49) MAPTKDM4EPOLBKMT2ALMNA

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