SCHEMBL7415906

SCHEMBL7415906

CCCc1c(C(=O)C(C)C)[nH]c2cc(C(=O)OC)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KIF11 P52732 1/20 0.49
NPC1 O15118 1/20 0.47
PARP1 P09874 3/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 4/20 0.46
PKM P14618 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
DYRK1A Q13627 1/20 0.43
CSNK2A1 P68400 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL7421706 0.85 KMT2A (0.57) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7422800 0.81 KMT2A (0.58) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL5277018 0.77 MEN1 (0.73) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7467512 0.76 KIF11 (0.51) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7419386 0.76 KIF11 (0.51) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7427464 0.75 KIF11 (0.57) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7470065 0.74 MEN1 (0.68) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL10293472 0.74 KMT2A (0.52) KMT2AMEN1ATML3MBTL1KIF11
SCHEMBL7419362 0.74 KIF11 (0.55) KMT2AMEN1KIF11NPC1PARP1
SCHEMBL29708168 0.73 KIF11 (0.84) KMT2AMEN1KIF11NPC1PARP1

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 4 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
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed