SCHEMBL10401908

SCHEMBL10401908

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ GLS O94925 5/20 0.37
▸ ALOX5 P09917 8/20 0.37
▸ APEX1 P27695 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLB P06746 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
SCHEMBL10403061 0.88 KDM4E (0.40) KDM4EGLSALOX5APEX1ALDH1A1
SCHEMBL10403063 0.80 KDM4E (0.40) KDM4EGLSALOX5APEX1ALDH1A1
SCHEMBL10403230 0.76 GAA (0.54) ALDH1A1POLB
SCHEMBL10404479 0.76 APEX1 (0.37) KDM4EGLSAPEX1ALDH1A1TDP1
SCHEMBL10404478 0.76 KDM4E (0.34) KDM4EGLSAPEX1ALDH1A1POLB
SCHEMBL10403434 0.72 KMT2A (0.37) KDM4EALDH1A1
SCHEMBL27264852 0.71 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL10403614 0.69 ALDH1A1 (0.32) KDM4EAPEX1ALDH1A1
SCHEMBL10402166 0.67 ALOX5 (0.39) ALOX5ALDH1A1POLB
SCHEMBL10767752 0.67 — —

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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