SCHEMBL7864532

SCHEMBL7864532

COC(=O)c1ccc2c(CC(C)N)c(OC)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
PARP1 P09874 3/20 0.47
RAB9A P51151 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
DYRK1A Q13627 1/20 0.44
CSNK2A1 P68400 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL27142358 0.76 NPC1 (0.68) NPC1
SCHEMBL31571567 0.76 NPC1 (0.68) NPC1
SCHEMBL27142430 0.76 NPC1 (0.68) NPC1
Hydrochloric Acid SCHEMBL31571557 0.75 NPC1 (0.67) NPC1
SCHEMBL7419386 0.74 KIF11 (0.51) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL4725998 0.73 KIF11 (0.84) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL29708168 0.73 KIF11 (0.84) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL7541380 0.70 KIF11 (0.56) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL31571579 0.70 GPR84 (0.64) NPC1
SCHEMBL27142512 0.70 GPR84 (0.64) NPC1

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-0801059-B1 INDOLE DERIVATIVE DAINIPPON PHARMACEUTICAL CO (JP) 2001-06-27 EP disclosed