SCHEMBL8570554

SCHEMBL8570554

COCc1cc(N)sc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
MAPK14 Q16539 1/20 0.45
CDK8 P49336 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
MAPT P10636 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
ATM Q13315 2/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 2/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
Hydrochloric Acid SCHEMBL8570552 0.98 L3MBTL1 (0.51) L3MBTL1POLBMAPK14CDK8CDK19
SCHEMBL31222852 0.80 L3MBTL1 (0.46) L3MBTL1POLBCDK8CDK19MAPT
SCHEMBL381164 0.75 MAPK14 (0.52) MAPK14MAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL5445499 0.74 MAPK14 (0.51) MAPK14MAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8930046 0.73 L3MBTL1 (0.38) L3MBTL1POLBCDK8CDK19MAPT
SCHEMBL6245423 0.73 L3MBTL1 (0.41) L3MBTL1POLBMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9099032 0.70 GAA (0.50) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL10740064 0.70 MAPK14 (0.62) L3MBTL1MAPK14MAPTKDM4EALDH1A1
SCHEMBL19769224 0.69 L3MBTL1 (1.00) L3MBTL1POLBCDK8CDK19MAPT
SCHEMBL3255840 0.69 MAPT (0.56) POLBMAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814629-A FUNGICIDES, BACTERICIDES AND VIRICIDES OF PLANTS NOVARTIS FINANCE CORPORATION (US) 1998-09-29 US disclosed