SCHEMBL28480820

SCHEMBL28480820

CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CS(=O)(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 9/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL23245047 0.91 MAPT (0.48) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL23245077 0.90 L3MBTL1 (0.44) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL21410438 0.90 MAPT (0.51) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL23245075 0.89 ALDH1A1 (0.41) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL21410471 0.89 L3MBTL1 (0.42) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL23245063 0.89 ALDH1A1 (0.50) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL28485488 0.88 L3MBTL1 (0.44) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL21410445 0.88 ALDH1A1 (0.53) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL25617602 0.87 MAPT (0.48) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL23245035 0.86 NPC1 (0.42) L3MBTL1MAPTALDH1A1SMN1; SMN2KMT2A

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-111918864-B Prodrug compounds activated by AKR1C3 and their use for the treatment of hyperproliferative disorders 阿基利斯医疗有限公司 2024-03-05 CN claimed
CN-111918864-B Prodrug compounds activated by AKR1C3 and their use for the treatment of hyperproliferative disorders 阿基利斯医疗有限公司 2024-03-05 CN disclosed
CN-111918864-A Prodrug compounds activated by AKR1C3 and their use to treat hyperproliferative disorders 阿基利斯医疗有限公司 2020-11-10 CN disclosed