SCHEMBL7422972

SCHEMBL7422972

CCCc1c(C(=O)C(C)C)c2ccc(C(=O)OC)cc2n1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
CFTR P13569 1/20 0.40
GSK3B P49841 2/20 0.40
S1PR3 Q99500 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7424622 0.90 AGTR1 (0.51) AGTR1AGTR2KDM4E
SCHEMBL7422487 0.89 AGTR1 (0.45) HTTAGTR1AGTR2KMT2AMEN1
SCHEMBL7422342 0.86 S1PR3 (0.42) HTTS1PR3KMT2AMEN1KDM4E
SCHEMBL7420331 0.85 S1PR3 (0.41) S1PR3KMT2AMEN1KDM4E
SCHEMBL7425401 0.85 MAPT (0.43) S1PR3KMT2AMEN1KDM4E
SCHEMBL7470080 0.85 S1PR3 (0.41) AGTR1AGTR2S1PR3KDM4E
SCHEMBL7468201 0.85 MEN1 (0.43) AGTR1AGTR2S1PR3KMT2AMEN1
SCHEMBL7416292 0.85 S1PR3 (0.46) S1PR3KMT2AMEN1
SCHEMBL7424404 0.85 S1PR3 (0.42) S1PR3KDM4E
SCHEMBL7467554 0.83 TSHR (0.43) HTTS1PR3KMT2AMEN1RXFP1

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