SCHEMBL9305705

SCHEMBL9305705

CC(C)(N)c1nc(C(=O)O)cs1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.41
PLA2G4A P47712 1/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER1 P34995 1/20 0.38
POLB P06746 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
HPGDS O60760 1/20 0.37
ECE1 P42892 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
SCHEMBL1421925 0.86 L3MBTL1 (0.49) L3MBTL1ALDH1A1KDM4EPLA2G4AACHE
SCHEMBL29065138 0.80 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4EPLA2G4AACHE
SCHEMBL13999768 0.80 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4EPLA2G4AACHE
SCHEMBL2517764 0.79 L3MBTL1 (0.42) L3MBTL1ALDH1A1KDM4EPLA2G4AACHE
SCHEMBL27805949 0.79 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4EPLA2G4AACHE
SCHEMBL287556 0.78 KDM4E (0.47) L3MBTL1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL3557689 0.78 L3MBTL1 (0.41) L3MBTL1ALDH1A1KDM4EPLA2G4AACHE
SCHEMBL578096 0.77 KDM4E (0.46) L3MBTL1ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13999769 0.76 L3MBTL1 (0.41) L3MBTL1ALDH1A1KDM4EPLA2G4AACHE
SCHEMBL14292709 0.76 RAB9A (0.63) ALDH1A1KDM4EGAASMN1; SMN2POLB

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
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
US-5321036-A Treatment of diabetes, obesity and gastrointestinal disorders BRISTOL-MYERS SQUIBB COMPANY (US) 1994-06-14 US disclosed