SCHEMBL9900932

SCHEMBL9900932

CC(C)c1nc2cscc2nc1N1CCS(=O)(=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 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
SCHEMBL9904722 0.81 KDM4E (0.35) CSNK1A1KDM4EALDH1A1MAPTMAPK1
SCHEMBL9900096 0.79 POLB (0.46) KDM4EALDH1A1MAPTMAPK1MEN1
SCHEMBL9900599 0.77
SCHEMBL9904673 0.65 ADORA2A (0.35)
SCHEMBL19703334 0.62 PIK3CD (0.48) KDM5B
SCHEMBL9901079 0.62 GLP1R (0.36)
SCHEMBL9925837 0.62
SCHEMBL3550824 0.60 L3MBTL1 (0.47) ALDH1A1MAPK1MEN1KMT2ANPC1
SCHEMBL19105540 0.60 PANK3 (0.39) KDM5BKDM4EALDH1A1MEN1KMT2A
SCHEMBL19105537 0.59 POLB (0.41) KDM5BALDH1A1MAPTMAPK1MEN1

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-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed