SCHEMBL1380882

SCHEMBL1380882

C=CC(=O)Nc1cc(C)cs1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.49
GSTO1 P78417 9/20 0.46
RAF1 P04049 1/20 0.41
DAO P14920 1/20 0.40
PI4KB Q9UBF8 1/20 0.38
F13A1 P00488 1/20 0.37
LMNA P02545 1/20 0.37
TGM1 P22735 1/20 0.37
TGM3 Q08188 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL1694410 0.79 DAO (0.52) RAF1DAOLMNA
SCHEMBL26584978 0.77 DAO (0.43) TGM2GSTO1DAOF13A1LMNA
SCHEMBL11471040 0.77 HSD17B10 (0.48) RAF1DAOLMNA
SCHEMBL8031103 0.73 TSHR (0.44) RAF1DAOPI4KBLMNA
SCHEMBL7289853 0.71 ALDH1A1 (0.49) RAF1DAOLMNAEGFR
SCHEMBL29183917 0.70 CYP1A2 (0.51) RAF1LMNA
SCHEMBL28196751 0.70 RAF1 (0.46) RAF1DAO
SCHEMBL28196767 0.70 GAA (0.54) RAF1DAOLMNA
SCHEMBL28114474 0.69 TGM2 (0.66) TGM2F13A1LMNATGM1TGM3
SCHEMBL1352029 0.69 RAF1 (0.48) RAF1DAOPI4KB

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
JP-4828407-B2 2011-11-30 JP claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP disclosed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO disclosed