SCHEMBL11826232

SCHEMBL11826232

CCOc1nc(SC)nc(N2CCOCC2)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.50
KDM4E B2RXH2 11/20 0.50
HPGD P15428 7/20 0.50
HSD17B10 Q99714 5/20 0.50
MAPK1 P28482 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 4/20 0.47
MAPT P10636 1/20 0.47
KHK P50053 1/20 0.45
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41

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
SCHEMBL11836332 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL11836494 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL11821448 0.84 MEN1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL11823175 0.83 MEN1 (0.36) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL11821452 0.83 MEN1 (0.38) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL11833124 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL6949089 0.77 MKNK1 (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL11826283 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL11832860 0.76 MGMT (0.50) ALDH1A1KDM4EHPGDMAPK1MEN1
SCHEMBL11828440 0.74 APAF1 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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-3975384-A ANTITHROMBOTICS BOEHRINGER INGELHEIM GMBH (DT) 1976-08-17 US disclosed