SCHEMBL29498481

SCHEMBL29498481

Cc1cc(S(=O)(=O)NC2CCC(O)CC2)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
PIK3CD O00329 9/20 0.51
PIK3CB P42338 8/20 0.51
PIK3CG P48736 8/20 0.51
MTOR P42345 6/20 0.51
PIK3C3 Q8NEB9 5/20 0.51
PIK3CA P42336 3/20 0.51
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PIK3R2 O00459 1/20 0.49
PIK3R1 P27986 1/20 0.49
PIK3R3 Q92569 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.47
PARG Q86W56 1/20 0.46

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
SCHEMBL1727236 1.00 ALDH1A1 (0.57) ALDH1A1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL848293 1.00 ALDH1A1 (0.57) ALDH1A1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2372122 0.93 ALDH1A1 (0.65) ALDH1A1POLBGAASMN1; SMN2KMT2A
SCHEMBL29498556 0.92 ALDH1A1 (0.51) ALDH1A1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL19989269 0.92 ALDH1A1 (0.51) ALDH1A1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL17205857 0.89 ALDH1A1 (0.57) ALDH1A1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL17205858 0.89 ALDH1A1 (0.57) ALDH1A1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL29498568 0.87 ALDH1A1 (0.51) ALDH1A1PIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL19989386 0.87 ALDH1A1 (0.51) ALDH1A1PIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL19989203 0.87 ALDH1A1 (0.51) ALDH1A1PIK3CDPIK3CBPIK3CGPIK3C3

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