SCHEMBL7745690

SCHEMBL7745690

CCO/N=C1/C(=O)Nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.53
IDO1 P14902 4/20 0.53
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
TTR P02766 1/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
GFER P55789 1/20 0.51
TDO2 P48775 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
AGTR1 P30556 2/20 0.48
GALR3 O60755 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL10625937 1.00 LRRK2 (0.53) LRRK2IDO1GAAALDH1A1MAPT
SCHEMBL27319548 0.82 LRRK2 (0.43) LRRK2IDO1GAAALDH1A1MAPT
SCHEMBL30892354 0.81 LRRK2 (0.59) LRRK2IDO1GAAALDH1A1MAPT
SCHEMBL30892352 0.81 LRRK2 (0.59) LRRK2IDO1GAAALDH1A1MAPT
SCHEMBL6317311 0.81 LRRK2 (0.59) LRRK2IDO1GAAALDH1A1MAPT
SCHEMBL6317313 0.81 LRRK2 (0.59) LRRK2IDO1GAAALDH1A1MAPT
SCHEMBL7611321 0.81 LRRK2 (0.55) LRRK2IDO1GAAALDH1A1MAPT
SCHEMBL7611320 0.81 LRRK2 (0.55) LRRK2IDO1GAAALDH1A1MAPT
SCHEMBL16119559 0.78 AGTR1 (0.43) LRRK2IDO1GAAALDH1A1MAPT
SCHEMBL22215184 0.78 MAPT (0.39) LRRK2IDO1GAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed