SCHEMBL9844559

SCHEMBL9844559

CCCN1CN(CC)c2[nH]c(=O)[nH]c(=O)c21

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.31

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
SCHEMBL27461931 0.76 TYMP (0.30) TYMP
SCHEMBL9388000 0.72 TYMP (0.32) TYMP
SCHEMBL5174201 0.72 HTT (0.36) TYMP
SCHEMBL7443306 0.71 KDM4E (0.41) —
SCHEMBL9387978 0.67 TYMP (0.30) TYMP
SCHEMBL6742186 0.66 TYMP (0.37) TYMP
SCHEMBL9387786 0.66 PIK3CD (0.33) —
SCHEMBL7403408 0.66 TYMP (0.34) TYMP
SCHEMBL27537549 0.65 TYMP (0.32) TYMP
SCHEMBL7617986 0.65 TYMP (0.36) TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413278-A2 Use of xanthine derivatives against peptic ulcers HOECHST JAPAN LIMITED (JP) 1991-02-20 — — EP disclosed
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