SCHEMBL24913898

SCHEMBL24913898

O=C(O)c1cc(Br)c2c(c1)CCNC2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.43
PNMT P11086 3/20 0.40
ASIC3 Q9UHC3 1/20 0.38
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TPMT P51580 1/20 0.35
PRCP P42785 1/20 0.34

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
SCHEMBL158365 0.77 LCK (0.39) PNMTKDM4EMAPTALDH1A1
SCHEMBL15503053 0.76 PNMT (0.49) PNMTASIC3
SCHEMBL4258102 0.76 ALDH1A1 (0.52) TTRSRD5A1SRD5A2KDM4EMAPT
SCHEMBL31013896 0.76 PNMT (0.49) PNMTASIC3
SCHEMBL22938497 0.73 TTR (0.46) TTRSRD5A1SRD5A2KDM4EMAPT
SCHEMBL25259397 0.73 PNMT (0.53) PNMTASIC3
SCHEMBL15503117 0.73 PNMT (0.44) PNMTASIC3
SCHEMBL30428318 0.71 ALDH1A1 (0.59) PNMTASIC3KDM4EMAPTALDH1A1
SCHEMBL29589725 0.71 ALDH1A1 (0.59) PNMTKDM4EMAPTALDH1A1
SCHEMBL1026101 0.71 ALDH1A1 (0.59) PNMTASIC3KDM4EMAPTALDH1A1

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