SCHEMBL29498484

SCHEMBL29498484

O=S(=O)(NC1CCCC(O)C1)c1ccc(Br)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
PDK1 Q15118 2/20 0.45
PDK2 Q15119 2/20 0.45
PDK3 Q15120 2/20 0.45
PDK4 Q16654 2/20 0.45
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.43

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
SCHEMBL19994872 1.00 MAPK1 (0.46) MAPK1SMN1; SMN2POLBTP53PKM
SCHEMBL19994803 0.92 KMT2A (0.43) MAPK1SMN1; SMN2POLBTP53PKM
SCHEMBL19989275 0.88 MAPK1 (0.42) MAPK1SMN1; SMN2POLBTP53PKM
SCHEMBL29859217 0.88 MAPK1 (0.42) MAPK1SMN1; SMN2POLBTP53PKM
SCHEMBL19989276 0.88 MAPK1 (0.42) MAPK1SMN1; SMN2POLBTP53PKM
SCHEMBL19989453 0.85 ALDH1A1 (0.56) MAPK1SMN1; SMN2POLBHTTKDM4E
SCHEMBL29498503 0.85 ALDH1A1 (0.56) MAPK1SMN1; SMN2POLBHTTKDM4E
SCHEMBL21407132 0.84 KMT2A (0.49) MAPK1SMN1; SMN2POLBTP53PKM
SCHEMBL29498518 0.84 KMT2A (0.49) MAPK1SMN1; SMN2POLBTP53PKM
SCHEMBL19995179 0.84 KMT2A (0.49) MAPK1SMN1; SMN2POLBTP53PKM

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
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