SCHEMBL9849262

SCHEMBL9849262

NC(=O)c1nccc2c(P(=O)(O)O)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LCK P06239 2/20 0.34
BTK Q06187 2/20 0.34
MAP2K3 P46734 1/20 0.34
MAP2K6 P52564 1/20 0.34
MAP3K19 Q56UN5 1/20 0.34
NEK10 Q6ZWH5 1/20 0.34
BRAF P15056 2/20 0.34
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
LIMK1 P53667 1/20 0.32
PLAU P00749 1/20 0.32
NPC1 O15118 2/20 0.32
POLB P06746 2/20 0.32
PARP1 P09874 1/20 0.32
PTK2B Q14289 1/20 0.32
ELANE P08246 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7433788 0.77 KDM4E (0.54) L3MBTL1KDM4ELCKBTKMAP2K3
SCHEMBL4388890 0.75 PTK2B (0.42) L3MBTL1KDM4ENPC1POLBPTK2B
SCHEMBL29757404 0.75 PTK2B (0.42) L3MBTL1KDM4ENPC1POLBPTK2B
SCHEMBL6274459 0.74 KDM4E (0.44) L3MBTL1KDM4ELCKBTKMAP2K3
SCHEMBL27626910 0.72 TTR (0.51) L3MBTL1KDM4EBRAFPOLBALDH1A1
SCHEMBL9849240 0.72 POLB (0.39) KDM4ENPC1POLBPTK2BELANE
SCHEMBL9849287 0.70 PLAU (0.40) L3MBTL1KDM4ELCKBTKMAP2K3
SCHEMBL29358323 0.69 CNR2 (0.53) KDM4ELCKBTKMAP2K3MAP2K6
SCHEMBL111310 0.69 CNR2 (0.53) KDM4ELCKBTKMAP2K3MAP2K6
SCHEMBL9849291 0.69 PLAU (0.39) L3MBTL1KDM4ELCKBTKMAP2K3

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
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 EP disclosed