SCHEMBL7419910

SCHEMBL7419910

CCCc1c(C(=O)C(C)C)c2ccc(C(=O)O)cc2n1Cc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.46
AGTR2 P50052 5/20 0.46
FOLH1 Q04609 1/20 0.42
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.37
FEN1 P39748 1/20 0.37
SLC22A12 Q96S37 2/20 0.36
FABP4 P15090 1/20 0.36
CNR2 P34972 1/20 0.36
S1PR3 Q99500 2/20 0.35
PARP1 P09874 1/20 0.35
PLA2G2A P14555 1/20 0.35
HRH2 P25021 1/20 0.35

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
SCHEMBL7422125 0.91 AGTR1 (0.39) AGTR1AGTR2FOLH1ALDH1A1CNR2
SCHEMBL7470080 0.89 S1PR3 (0.41) AGTR1AGTR2HPGDKDM4ECNR2
SCHEMBL7421489 0.89 SLC22A12 (0.43) AGTR1AGTR2ALDH1A1HPGDKDM4E
SCHEMBL7427161 0.88 AGTR1 (0.38) AGTR1AGTR2ALDH1A1HPGDKDM4E
SCHEMBL7425450 0.88 AGTR1 (0.46) AGTR1AGTR2ALDH1A1HPGDFABP4
SCHEMBL7427533 0.88 ALOX5AP (0.46) ALDH1A1SLC22A12
SCHEMBL7424763 0.87 AGTR1 (0.39) AGTR1AGTR2ALDH1A1HPGDKDM4E
SCHEMBL7707842 0.87 ALOX5AP (0.45) ALDH1A1SLC22A12
SCHEMBL7422911 0.86 AGTR1 (0.48) AGTR1AGTR2FEN1FABP4PLA2G2A
SCHEMBL7422028 0.85 TSHR (0.45) AGTR1AGTR2ALDH1A1HPGDKDM4E

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 6 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
CN-1187812-A Indole derivatives as CGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-07-15 CN 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