SCHEMBL27280663

SCHEMBL27280663

COCCCCCCOc1ccnc(SC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
DYRK3 O43781 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
ALOX15 P16050 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
SCHEMBL24211525 0.78 HTT (0.49) GAAHTTKMT2ATHRBDYRK3
SCHEMBL2410520 0.78 GAA (0.48) GAAHTTKMT2ATHRBDYRK3
SCHEMBL2669892 0.77 GAA (0.50) GAAHTTKMT2ATHRBDYRK3
SCHEMBL22576451 0.76 HTT (0.39) GAAHTTDYRK1ALMNAALDH1A1
SCHEMBL26063963 0.74 GAA (0.34) GAAHTTKMT2ATHRBADORA3
SCHEMBL26063862 0.74 GAA (0.34) GAAHTTKMT2ATHRBDYRK3
SCHEMBL28019805 0.73 NPC1 (0.51) HTTKMT2ALMNAALDH1A1HSD17B10
SCHEMBL2016297 0.73 HTT (0.39) GAAHTTKMT2ADYRK1AADORA3
SCHEMBL11190764 0.72 GAA (0.43) GAAHTTKMT2ATHRBDYRK3
SCHEMBL1437091 0.72 GAA (0.43) GAAHTTKMT2ATHRBDYRK3

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
EP-4182737-B1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2024-07-03 EP disclosed