SCHEMBL7472045

SCHEMBL7472045

COCc1c(C(=O)C(C)C)c2ccc(C(=O)O)cc2n1Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.46
SLC22A12 Q96S37 3/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
LTC4S Q16873 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NR4A2 P43354 2/20 0.40
PTPN11 Q06124 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DPP4 P27487 2/20 0.40
CCR2 P41597 1/20 0.40
F2RL3 Q96RI0 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL7418990 0.91 MAPT (0.44) ALOX5APL3MBTL1NPC1RAB9ADPP4
SCHEMBL7420959 0.91 ALOX5AP (0.47) ALOX5APL3MBTL1DPP4F2RL3MAPT
SCHEMBL7428819 0.90 ALOX5AP (0.47) ALOX5APSLC22A12PTGESALOX5LTC4S
SCHEMBL7418727 0.89 ALOX5AP (0.53) ALOX5APSLC22A12PTGESALOX5LTC4S
SCHEMBL7427533 0.88 ALOX5AP (0.46) ALOX5APSLC22A12PTGESALOX5LTC4S
SCHEMBL7707842 0.87 ALOX5AP (0.45) ALOX5APSLC22A12PTGESALOX5LTC4S
SCHEMBL7469713 0.85 L3MBTL1 (0.52) ALOX5APSLC22A12PTGESALOX5LTC4S
SCHEMBL7468891 0.83 MAPT (0.44) ALOX5APL3MBTL1NPC1RAB9ADPP4
SCHEMBL7415932 0.82 MAPT (0.43) ALOX5APPTGESALOX5LTC4SL3MBTL1
SCHEMBL7425401 0.82 MAPT (0.43) ALOX5APL3MBTL1NPC1RAB9ADPP4

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