SCHEMBL29897709

SCHEMBL29897709

CCOc1ccc(S(=O)(=O)N2C[C@@H](C)N[C@@H](C)C2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.45
S1PR3 Q99500 1/20 0.45
NPC1 O15118 3/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL6490246 1.00 APEX1 (0.49) APEX1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6490243 1.00 APEX1 (0.49) APEX1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6491181 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL29897705 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL6491185 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL15926140 0.88 APEX1 (0.49) APEX1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL25926241 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL25925529 0.84 ALDH1A1 (0.41) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL6691845 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL6691847 0.81 LMNA (0.44) ALDH1A1LMNAHTTSMN1; SMN2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113350301-B New compound traditional Chinese medicine honeyed pill for treating impotence 刘宝顺 2022-10-04 CN claimed
CN-116262118-A Application of alidenafil or salt thereof in preparation of medicines for preventing or treating ischemic brain injury 真奥金银花药业有限公司 2023-06-16 CN disclosed
CN-113350301-B New compound traditional Chinese medicine honeyed pill for treating impotence 刘宝顺 2022-10-04 CN disclosed