SCHEMBL27819829

SCHEMBL27819829

Cc1ccc(NC(=O)C(O)CCC[SH](=O)=O)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
GCK P35557 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL839205 0.85 TSHR (0.54) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL838394 0.79 RAB9A (0.60) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL838669 0.79 RAB9A (0.60) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL839447 0.79 RAB9A (0.53) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL838342 0.79 RAB9A (0.53) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL838343 0.79 RAB9A (0.53) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL838393 0.78 RAB9A (0.51) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL838587 0.78 RAB9A (0.51) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL27819813 0.77 RAB9A (0.62) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL838748 0.76 RAB9A (0.55) RAB9AMAPTNPC1SMN1; SMN2KDM4E

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
CN-102171213-A Pyrazolo [3, 4] pyrimidin-4-yl derivatives and their uses to treat diabetes and obesity ASTRAZENECA AB 2011-08-31 CN disclosed