SCHEMBL7467799

SCHEMBL7467799

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
KIF11 P52732 2/20 0.49
RAB9A P51151 1/20 0.45
CSNK2A1 P68400 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PKM P14618 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
DYRK1A Q13627 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.41
KDR P35968 3/20 0.40
PDGFRB P09619 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL7418840 1.00 PARP1 (0.49) PARP1KIF11RAB9ACSNK2A1KMT2A
SCHEMBL7419362 0.81 KIF11 (0.55) PARP1KIF11RAB9ACSNK2A1KMT2A
SCHEMBL7467512 0.78 KIF11 (0.51) PARP1KIF11RAB9ACSNK2A1KMT2A
SCHEMBL7421225 0.77 KIF11 (0.50) PARP1KIF11RAB9ACSNK2A1KMT2A
SCHEMBL7473716 0.77 KIF11 (0.50) PARP1KIF11RAB9ACSNK2A1KMT2A
SCHEMBL7422800 0.76 KMT2A (0.58) PARP1KIF11RAB9ACSNK2A1KMT2A
SCHEMBL7418777 0.74 KMT2A (0.48) PARP1KIF11RAB9ACSNK2A1KMT2A
SCHEMBL4725998 0.73 KIF11 (0.84) PARP1KIF11RAB9ACSNK2A1KMT2A
SCHEMBL29708168 0.73 KIF11 (0.84) PARP1KIF11RAB9ACSNK2A1KMT2A
SCHEMBL7423919 0.72 KMT2A (0.46) PARP1KIF11RAB9ACSNK2A1KMT2A

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
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