SCHEMBL10403614

SCHEMBL10403614

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ APEX1 P27695 1/20 0.30

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
SCHEMBL10767752 0.86 — —
SCHEMBL10767746 0.78 — —
SCHEMBL10403434 0.76 KMT2A (0.37) ALDH1A1KDM4E
SCHEMBL10403061 0.72 KDM4E (0.40) ALDH1A1KDM4EAPEX1
SCHEMBL10403063 0.72 KDM4E (0.40) ALDH1A1KDM4EAPEX1
SCHEMBL10403137 0.70 KMT2A (0.37) —
SCHEMBL10401908 0.69 KDM4E (0.41) ALDH1A1KDM4EAPEX1
SCHEMBL10403324 0.64 HSD17B10 (0.41) ALDH1A1
SCHEMBL12263493 0.62 NPC1 (0.36) ALDH1A1KDM4E
SCHEMBL1241982 0.60 TAAR1 (0.36) KDM4E

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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