SCHEMBL29859453

SCHEMBL29859453

Cc1cc(S(=O)(=O)NC2CCC(C#N)CC2)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PARG Q86W56 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ LMNA P02545 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

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
SCHEMBL19989476 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBGAATDP1
SCHEMBL19989477 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBGAATDP1
SCHEMBL2372122 0.89 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBGAATDP1
SCHEMBL29859404 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBGAATDP1
SCHEMBL19989544 0.85 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBGAATDP1
SCHEMBL1727236 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBGAATDP1
SCHEMBL848293 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBGAATDP1
SCHEMBL29498481 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBGAATDP1
SCHEMBL19994841 0.82 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2POLBGAATDP1
SCHEMBL19989503 0.80 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBGAATDP1

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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