SCHEMBL7423919

SCHEMBL7423919

CCC(OC(C)=O)c1[nH]c2cc(C(=O)OC)ccc2c1C(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KIF11 P52732 2/20 0.44
RAB9A P51151 1/20 0.44
PARP1 P09874 3/20 0.42
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
DYRK1A Q13627 1/20 0.39
CSNK2A1 P68400 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7418777 0.84 KMT2A (0.48) KMT2AMEN1KIF11RAB9APARP1
SCHEMBL7467512 0.78 KIF11 (0.51) KMT2AMEN1KIF11RAB9APARP1
SCHEMBL7419362 0.77 KIF11 (0.55) KMT2AMEN1KIF11RAB9APARP1
SCHEMBL7422800 0.77 KMT2A (0.58) KMT2AMEN1KIF11RAB9APARP1
SCHEMBL7473716 0.75 KIF11 (0.50) KMT2AMEN1KIF11RAB9APARP1
SCHEMBL7421225 0.75 KIF11 (0.50) KMT2AMEN1KIF11RAB9APARP1
SCHEMBL7467799 0.72 PARP1 (0.49) KMT2AMEN1KIF11RAB9APARP1
SCHEMBL7418840 0.72 PARP1 (0.49) KMT2AMEN1KIF11RAB9APARP1
SCHEMBL7415906 0.70 KMT2A (0.55) KMT2AMEN1KIF11RAB9APARP1
SCHEMBL7419644 0.70 S1PR3 (0.44) ALDH1A1KDM4EGAAHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed