SCHEMBL2436285

SCHEMBL2436285

COc1ccc(Nc2snc(O)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
RECQL P46063 2/20 0.49
GAA P10253 6/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 6/20 0.45
RAB9A P51151 6/20 0.45
MAPK1 P28482 3/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 4/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GALK1 P51570 1/20 0.42

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
SCHEMBL5940997 0.96 HTT (0.46) HTTRECQLGAAALDH1A1KDM4E
SCHEMBL2437350 0.84 KDM4E (0.52) HTTRECQLGAAALDH1A1KDM4E
SCHEMBL21917164 0.84 HTT (0.56) HTTRECQLGAAALDH1A1KDM4E
SCHEMBL3532181 0.84 HTT (0.53) HTTRECQLALDH1A1MAPTRAB9A
SCHEMBL2437747 0.83 HTT (0.46) HTTRECQLGAAALDH1A1KDM4E
SCHEMBL5941099 0.81 HTT (0.64) HTTRECQLGAAALDH1A1HPGD
SCHEMBL5941039 0.81 HTT (0.49) HTTRECQLGAAALDH1A1KDM4E
SCHEMBL1228956 0.81 MAPT (0.50) HTTRECQLALDH1A1KDM4EHPGD
SCHEMBL2439673 0.81 HTT (0.49) HTTRECQLALDH1A1KDM4EHPGD
SCHEMBL5941007 0.81 HTT (0.49) HTTRECQLGAAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989451-B2 Substituted isothiazole compounds are useful for treating the diseases associated with abnormality in protein kinases(especially MAP kinases) VALEANT RESEARCH & DEVELOPMENT (US) 2006-01-24 US claimed
EP-2362909-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2011-09-07 EP disclosed
WO-2010039778-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-04-08 WO disclosed