SCHEMBL23958614

SCHEMBL23958614

COC(=O)c1cc(OC)c2nnc(C)c(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CNR2 P34972 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP3A4 P08684 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 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
SCHEMBL23958602 0.85 CNR2 (0.42) KDM4EALDH1A1CNR2KMT2AMEN1
SCHEMBL2114318 0.76 KMT2A (0.61) KDM4EALDH1A1CNR2KMT2AMEN1
SCHEMBL23905572 0.76 KDM4E (0.47) KDM4EALDH1A1CNR2KMT2AMEN1
SCHEMBL23046588 0.74 CA12 (0.49) KDM4EALDH1A1CA12CA1CA2
SCHEMBL25113893 0.74 ALDH1A1 (0.49) KDM4EALDH1A1CNR2KMT2AMEN1
SCHEMBL16544886 0.74 MAPT (0.43) KDM4EALDH1A1CNR2KMT2AMEN1
SCHEMBL21729783 0.72 KDM4E (0.55) KDM4EALDH1A1CNR2KMT2AMEN1
SCHEMBL18969524 0.72 KMT2A (0.51) KDM4EALDH1A1CNR2KMT2AMEN1
SCHEMBL23883075 0.72 KDM4E (0.46) KDM4EALDH1A1CNR2KMT2AMAPT
SCHEMBL23930090 0.72 KDM4E (0.46) KDM4EALDH1A1CNR2KMT2AMEN1

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