SCHEMBL5069013

SCHEMBL5069013

Nc1cc(OCCc2ccc(F)cc2)ccc1Sc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
EGFR P00533 3/20 0.41
IGF1R P08069 3/20 0.41
FLT4 P35916 3/20 0.41
KDR P35968 3/20 0.41
MAOB P27338 6/20 0.39
MAOA P21397 1/20 0.39
SIRT2 Q8IXJ6 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
SCHEMBL810574 0.90 MAOB (0.49) KDM4EALDH1A1MAPTHPGDSLC6A2
SCHEMBL4389623 0.89 NPC1 (0.48) SLC6A2SLC6A4EGFRIGF1RFLT4
SCHEMBL5064972 0.89 MAOB (0.42) KDM4EALDH1A1MAPTHPGDSLC6A2
SCHEMBL4973845 0.81 SIRT2 (0.41) SLC6A2SLC6A4MAOBMAOASIRT2
SCHEMBL811689 0.80 MAOB (0.54) MAOBMAOA
SCHEMBL811162 0.80 CACNA1C (0.51) KDM4EALDH1A1MAPTHPGDSLC6A2
SCHEMBL810264 0.78 SLC6A2 (0.43) KDM4EALDH1A1MAPTHPGDSLC6A2
SCHEMBL810135 0.78 MAPT (0.48) KDM4EALDH1A1MAPTHPGDSLC6A2
SCHEMBL810527 0.78 MAOB (0.44) KDM4EALDH1A1MAPTHPGDSLC6A2
SCHEMBL810140 0.78 MAOB (0.46) SLC6A2SLC6A4MAOBMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed