SCHEMBL29498672

SCHEMBL29498672

O=S(=O)(c1ccc(Br)c(Cl)c1)N1CC[C@@H](O)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AKR1C3 P42330 3/20 0.45
POLB P06746 2/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
TDO2 P48775 2/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
HSD11B1 P28845 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AKR1C1 Q04828 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
SCHEMBL29498550 1.00 MAPT (0.46) MAPTHSD17B10AKR1C3POLBMCOLN3
SCHEMBL19989321 1.00 MAPT (0.46) MAPTHSD17B10AKR1C3POLBMCOLN3
SCHEMBL19994859 1.00 MAPT (0.46) MAPTHSD17B10AKR1C3POLBMCOLN3
SCHEMBL19989317 1.00 MAPT (0.46) MAPTHSD17B10AKR1C3POLBMCOLN3
SCHEMBL19989270 0.84 TDO2 (0.49) MAPTHSD17B10AKR1C3POLBMCOLN3
SCHEMBL19989513 0.84 TDO2 (0.49) MAPTHSD17B10AKR1C3POLBMCOLN3
SCHEMBL29859576 0.84 TDO2 (0.49) MAPTHSD17B10AKR1C3POLBMCOLN3
SCHEMBL29859224 0.84 ALDH1A1 (0.50) MAPTHSD17B10POLBMCOLN3TDO2
SCHEMBL29859221 0.84 TDO2 (0.49) MAPTHSD17B10AKR1C3POLBMCOLN3
SCHEMBL19989448 0.84 ALDH1A1 (0.50) MAPTHSD17B10POLBMCOLN3TDO2

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
CN-109715608-B Indazole compounds for use in tendon and/or ligament injuries 诺华股份有限公司 2022-08-05 CN disclosed
CN-109715629-B Aza-indazole compounds for use in tendon and/or ligament injuries 诺华股份有限公司 2022-04-12 CN disclosed