SCHEMBL7419386

SCHEMBL7419386

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.51
PARP1 P09874 3/20 0.48
RAB9A P51151 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 3/20 0.45
HSD17B10 Q99714 2/20 0.45
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
DYRK1A Q13627 1/20 0.44
CSNK2A1 P68400 1/20 0.44
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL7419297 0.79 KIF11 (0.58) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL7368864 0.78 KIF11 (0.61) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL7415906 0.76 KMT2A (0.55) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL7357464 0.75 KIF11 (0.55) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL29708168 0.74 KIF11 (0.84) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL4725998 0.74 KIF11 (0.84) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL7427464 0.74 KIF11 (0.57) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL7864532 0.74 KIF11 (0.50) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL7421225 0.74 KIF11 (0.50) KIF11PARP1RAB9AKMT2AMEN1
SCHEMBL5277018 0.73 MEN1 (0.73) KIF11RAB9AKMT2AMEN1ATM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed