SCHEMBL28836944

SCHEMBL28836944

O=C([O-])C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)O)cc1.O=C([O-])C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)O)cc1.O=C([O-])C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)O)cc1.[Al+3]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.48
▸ KMT2A Q03164 9/20 0.48
▸ MAPT P10636 6/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.33
▸ PTPN1 P18031 1/20 0.32

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
SCHEMBL31255141 0.91 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL839392 0.89 MEN1 (0.52) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL839391 0.89 MEN1 (0.52) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL185928 0.89 MEN1 (0.52) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL29376127 0.88 MEN1 (0.54) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL185927 0.88 MEN1 (0.51) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL28836941 0.88 MEN1 (0.51) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL41561 0.88 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL41562 0.88 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL1461510 0.87 MEN1 (0.50) MEN1KMT2AMAPTCYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118871091-A Dosage form for gastric retention 林德拉治疗公司 2024-10-29 — — CN disclosed
CN-115003335-A Gastric resident system for administering active agents 林德拉治疗公司 2022-09-02 — — CN disclosed
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