SCHEMBL7424622

SCHEMBL7424622

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
FEN1 P39748 1/20 0.40
PLA2G2A P14555 1/20 0.39
HCAR3 P49019 4/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL7422487 0.92 AGTR1 (0.45) AGTR1AGTR2FEN1PLA2G2AKDM4E
SCHEMBL7422972 0.90 HTT (0.45) AGTR1AGTR2KDM4E
SCHEMBL7421489 0.85 SLC22A12 (0.43) AGTR1AGTR2KDM4EALDH1A1LMNA
SCHEMBL7427533 0.85 ALOX5AP (0.46) ALDH1A1PPARG
SCHEMBL7419910 0.85 AGTR1 (0.46) AGTR1AGTR2FEN1PLA2G2AKDM4E
SCHEMBL7427161 0.85 AGTR1 (0.38) AGTR1AGTR2PLA2G2AKDM4EALDH1A1
SCHEMBL7425450 0.85 AGTR1 (0.46) AGTR1AGTR2ALDH1A1
SCHEMBL7424763 0.84 AGTR1 (0.39) AGTR1AGTR2KDM4EALDH1A1PPARG
SCHEMBL7707842 0.84 ALOX5AP (0.45) ALDH1A1PPARG
SCHEMBL7422911 0.83 AGTR1 (0.48) AGTR1AGTR2FEN1PLA2G2A

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 5 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
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