SCHEMBL7419362

SCHEMBL7419362

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.55
PARP1 P09874 3/20 0.51
RAB9A P51151 2/20 0.50
NR4A2 P43354 1/20 0.50
DYRK1A Q13627 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CSNK2A1 P68400 1/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BRD4 O60885 1/20 0.45
PKM P14618 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7419884 0.85 KIF11 (0.58) KIF11PARP1RAB9ANR4A2DYRK1A
SCHEMBL7467512 0.83 KIF11 (0.51) KIF11PARP1RAB9ADYRK1AKMT2A
SCHEMBL7473716 0.82 KIF11 (0.50) KIF11PARP1RAB9ADYRK1AKMT2A
SCHEMBL7421225 0.82 KIF11 (0.50) KIF11PARP1RAB9ADYRK1AKMT2A
SCHEMBL7422800 0.81 KMT2A (0.58) KIF11PARP1RAB9ADYRK1AKMT2A
SCHEMBL7467799 0.81 PARP1 (0.49) KIF11PARP1RAB9ADYRK1AKMT2A
SCHEMBL7418840 0.81 PARP1 (0.49) KIF11PARP1RAB9ADYRK1AKMT2A
SCHEMBL7422570 0.81 KIF11 (0.55) KIF11PARP1RAB9ANR4A2DYRK1A
SCHEMBL7418777 0.79 KMT2A (0.48) KIF11PARP1RAB9ADYRK1AKMT2A
SCHEMBL4725998 0.77 KIF11 (0.84) KIF11PARP1RAB9ADYRK1AKMT2A

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