SCHEMBL7004603

SCHEMBL7004603

COc1c(OCc2ccccc2)ccc2cc3c(=O)[nH]ccn3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SRD5A1 P18405 2/20 0.38
SRD5A2 P31213 2/20 0.38
POLB P06746 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL7003203 0.83 MTNR1A (0.43) ALDH1A1MAPTHSD17B10KDM4CSIRT2
SCHEMBL7003213 0.75 NSD2 (0.50) SRD5A2NPC1RAB9ACTSVCTSL
SCHEMBL7007443 0.72 MEN1 (0.51) ALDH1A1HSD17B10SRD5A2NPC1HPGD
SCHEMBL7834454 0.70 POLB (0.43) MAPTSIRT2POLBNPC1RAB9A
SCHEMBL12303126 0.66 MAPT (0.57) ALDH1A1MAPTPOLBNPC1HPGD
SCHEMBL7283929 0.66 POLB (0.52) ALDH1A1MAPTHSD17B10KDM4CSIRT2
SCHEMBL4047377 0.66 ADORA3 (0.43) ALDH1A1MAPTHSD17B10KDM4CSIRT2
SCHEMBL24567041 0.65 MAPK14 (0.49) KDM4CPOLBNSD2ABL1PPARG
SCHEMBL17912878 0.65 MAPT (0.66) MAPTL3MBTL1
SCHEMBL3897534 0.65 POLB (0.43) MAPTSIRT2POLBNPC1HPGD

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-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed