SCHEMBL10401909

SCHEMBL10401909

CN(C)CCc1nnc(SCCNC(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ GLS O94925 5/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ ALOX5 P09917 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL10401908 0.90 KDM4E (0.41) KDM4EGLSAPEX1ALOX5ALDH1A1
SCHEMBL10403063 0.88 KDM4E (0.40) KDM4EGLSAPEX1ALOX5ALDH1A1
SCHEMBL10403061 0.80 KDM4E (0.40) KDM4EGLSAPEX1ALOX5ALDH1A1
SCHEMBL10404479 0.78 APEX1 (0.37) KDM4EGLSAPEX1ALDH1A1TDP1
SCHEMBL10403231 0.77 GAA (0.60) APEX1ALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL10404478 0.73 KDM4E (0.34) KDM4EGLSAPEX1ALDH1A1GAA
SCHEMBL10403434 0.72 KMT2A (0.37) KDM4EALDH1A1
SCHEMBL10403614 0.69 ALDH1A1 (0.32) KDM4EAPEX1ALDH1A1
SCHEMBL10402167 0.68 ALOX5 (0.40) APEX1ALOX5ALDH1A1GAAHTR7
SCHEMBL10403230 0.67 GAA (0.54) ALDH1A1GAAL3MBTL1SMN1; SMN2HPGD

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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