SCHEMBL3958751

SCHEMBL3958751

COc1[c]cc(CCl)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.36
IDO1 P14902 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CMA1 P23946 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL221126 0.83 PTGS2 (0.39) IDO1ALDH1A1CA2
SCHEMBL3955245 0.81 MAPT (0.35) IDO1ALDH1A1MAPTCA2
SCHEMBL27645445 0.81 MAOB (0.39) IDO1KDM4E
SCHEMBL193829 0.79 LPL (0.35) MAPTCA2
SCHEMBL2890983 0.78 HTR7 (0.40) KDM4EALDH1A1MAPTCA2
SCHEMBL2890570 0.78 HRH3 (0.43) ALDH1A1MAPT
SCHEMBL193942 0.76
SCHEMBL7474811 0.76 LTA4H (0.55) CA2
SCHEMBL28893677 0.76 ALDH1A1 (0.53) KDM4EALDH1A1MAPTALOX15
SCHEMBL3960038 0.76 PKM (0.37) KDM4E

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
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO claimed
WO-2009034386-A1 DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 ASTRAZENECA AB (SE) 2009-03-19 WO disclosed
EP-0839133-B1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS RHONE POULENC RORER SA (FR) 1999-10-06 EP disclosed
EP-0839133-A1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1998-05-06 EP disclosed
WO-1997003050-A1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1997-01-30 WO disclosed