SCHEMBL7418115

SCHEMBL7418115

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.52
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
CPT1A P50416 1/20 0.47
PLA2G4A P47712 1/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL7425158 0.90 GAA (0.53) SLC22A12TSHRALDH1A1HTTLMNA
SCHEMBL7467136 0.88 TSHR (0.48) SLC22A12TSHRALDH1A1HTTLMNA
SCHEMBL1995112 0.86 GAA (0.53) SLC22A12ALDH1A1HTTLMNACPT1A
SCHEMBL7419031 0.84 SLC22A12 (0.49) SLC22A12ALDH1A1HTTCPT1AMAPT
SCHEMBL7418699 0.82 GAA (0.56) SLC22A12ALDH1A1HTTLMNACPT1A
SCHEMBL7427340 0.80 SMN1; SMN2 (0.54) SLC22A12ALDH1A1HTTLMNAMAPT
SCHEMBL7471953 0.78 SLC22A12 (0.49) SLC22A12ALDH1A1LMNAMAPTKDM4E
SCHEMBL7425317 0.78 SLC22A12 (0.49) SLC22A12ALDH1A1LMNAMAPTKDM4E
SCHEMBL7469713 0.77 L3MBTL1 (0.52) SLC22A12ALDH1A1LMNAMAPTGAA
SCHEMBL7422324 0.75 RAB9A (0.55) SLC22A12ALDH1A1CPT1AMAPTNPSR1

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