SCHEMBL4056201

SCHEMBL4056201

O=C1SCCN(C(=O)Cc2[c]cccc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
NOTUM Q6P988 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
POLB P06746 3/20 0.32
RYR2 Q92736 2/20 0.31
FAAH O00519 1/20 0.31
NAAA Q02083 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DRD4 P21917 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL3771066 0.74 POLB (0.49) ALDH1A1MAPTKMT2ANPC1HTT
SCHEMBL3759997 0.73 POLB (0.48) ALDH1A1MAPTKMT2ANPC1HTT
SCHEMBL6943936 0.70 ALDH1A1 (0.31) ALDH1A1MAPTKMT2ANOTUMCYP1A2
SCHEMBL7427604 0.68 MAPT (0.55) ALDH1A1MAPTKMT2ANPC1HTT
SCHEMBL5082865 0.67 L3MBTL1 (0.46) ALDH1A1NPC1RAB9APOLBKDM4E
SCHEMBL3980303 0.66 HSD11B1 (0.40) ALDH1A1CYP2C19POLBL3MBTL1
SCHEMBL3756704 0.65 HTT (0.41) ALDH1A1MAPTKMT2AHTTPOLB
SCHEMBL1521437 0.64 AKR1B1 (0.48) ALDH1A1MAPTHTTKDM4E
SCHEMBL4978466 0.64 ALDH1A1 (0.37) ALDH1A1MAPTKMT2ANOTUMCYP1A2
SCHEMBL16336500 0.64 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066647-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS Novartis AG (CH) 2009-06-10 EP claimed
WO-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO claimed
EP-2066647-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS Novartis AG (CH) 2009-06-10 EP disclosed
WO-2008031594-A1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2008-03-20 WO disclosed