SCHEMBL9987340

SCHEMBL9987340

CC(C)COC(=O)NCCOc1ccc2n[c]sc2n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.35
BRD4 O60885 6/20 0.35
ACACB O00763 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
KDR P35968 1/20 0.33
TGFBR1 P36897 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9987433 0.85 LTA4H (0.35) LMNAALDH1A1KDM4EACACB
SCHEMBL9988112 0.85 LTA4H (0.36) LMNAALDH1A1KDM4EACACB
SCHEMBL973646 0.83 CA12 (0.43) KDM4EL3MBTL1
SCHEMBL9988123 0.81 KDM4E (0.34) KDM4EACACBCSNK2A2CSNK2A1
SCHEMBL9987651 0.81 TSHR (0.40) ALDH1A1TSHRKDM4EACACBL3MBTL1
SCHEMBL969683 0.72 PIK3CD (0.39) ALDH1A1
SCHEMBL974267 0.72 LTA4H (0.33) L3MBTL1MAPT
SCHEMBL970374 0.71 ACSS2 (0.35) ALDH1A1HTTKDM4EL3MBTL1MAPT
SCHEMBL9988118 0.71 ACACB (0.38) ACACB
SCHEMBL971240 0.70 TAAR1 (0.34) MAPK1KDM4E

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
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed