SCHEMBL24914229

SCHEMBL24914229

CC(=O)N1CCC(Nc2cccc3c2CN(C(=O)c2c(O)cc(O)cc2OCc2ccccc2)CC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.40
BRD4 O60885 1/20 0.40
PRMT5 O14744 11/20 0.39
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
WDR77 Q9BQA1 9/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALK Q9UM73 1/20 0.35

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
SCHEMBL30155850 1.00 NSD2 (0.40) NSD2BRD4PRMT5TMEM97SIGMAR1
SCHEMBL30155831 0.95 SPR (0.38) NSD2BRD4PRMT5TMEM97SIGMAR1
SCHEMBL30155795 0.95 SPR (0.38) NSD2BRD4PRMT5TMEM97SIGMAR1
SCHEMBL24913991 0.95 SPR (0.38) NSD2BRD4PRMT5TMEM97SIGMAR1
SCHEMBL24913993 0.95 SPR (0.38) NSD2BRD4PRMT5TMEM97SIGMAR1
SCHEMBL24913997 0.94 TMEM97 (0.42) NSD2TMEM97SIGMAR1PTGDR2ALDH1A1
SCHEMBL30155597 0.94 TMEM97 (0.42) NSD2TMEM97SIGMAR1PTGDR2ALDH1A1
SCHEMBL24913891 0.93 TMEM97 (0.38) PRMT5TMEM97SIGMAR1WDR77PTGDR2
SCHEMBL30155743 0.93 TMEM97 (0.38) PRMT5TMEM97SIGMAR1WDR77PTGDR2
SCHEMBL24913940 0.92 TMEM97 (0.42) TMEM97SIGMAR1PTGDR2ALDH1A1MAPT

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-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO disclosed