SCHEMBL7419031

SCHEMBL7419031

CC(C)(C)CC(=O)c1cn(Cc2ccccc2Cl)c2cc(C(=O)O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.49
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
CPT1A P50416 1/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MAPK1 P28482 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL7421590 0.91 GAA (0.53) SLC22A12GAAGFERCPT1AMAPT
SCHEMBL7421750 0.89 CNR2 (0.45) SLC22A12GAAGFERCPT1AMAPT
SCHEMBL7418115 0.84 SLC22A12 (0.52) SLC22A12GAAGFERCPT1AMAPT
SCHEMBL1995112 0.84 GAA (0.53) SLC22A12GAAGFERCPT1AMAPT
SCHEMBL7418699 0.79 GAA (0.56) SLC22A12GAAGFERCPT1AMAPT
SCHEMBL7427340 0.77 SMN1; SMN2 (0.54) SLC22A12GAAGFERMAPTALDH1A1
SCHEMBL7471953 0.75 SLC22A12 (0.49) SLC22A12GAAGFERMAPTALDH1A1
SCHEMBL7425317 0.75 SLC22A12 (0.49) SLC22A12GAAGFERMAPTALDH1A1
SCHEMBL7425158 0.74 GAA (0.53) SLC22A12GAAGFERCPT1AMAPT
SCHEMBL7422324 0.73 RAB9A (0.55) SLC22A12GAAGFERCPT1AMAPT

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