SCHEMBL29859404

SCHEMBL29859404

Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](C#N)C2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CTSC P53634 2/20 0.39

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
SCHEMBL19989544 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL19989477 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL19989476 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL29859453 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL29498503 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL19989453 0.82 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL19994841 0.81 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL2372122 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL19989269 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBGAATSHR
SCHEMBL29498556 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBGAATSHR

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-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
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