SCHEMBL9388000

SCHEMBL9388000

CC(C)(C)CN1CN(CC(C)(C)C)c2c1[nH]c(=O)[nH]c2=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 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
SCHEMBL9387786 0.88 PIK3CD (0.33) —
SCHEMBL9387978 0.87 TYMP (0.30) TYMP
SCHEMBL9844559 0.72 TYMP (0.31) TYMP
SCHEMBL9390371 0.67 — —
SCHEMBL9393796 0.67 EPHX2 (0.35) —
SCHEMBL5174201 0.64 HTT (0.36) TYMP
SCHEMBL7403408 0.64 TYMP (0.34) TYMP
SCHEMBL6742186 0.63 TYMP (0.37) TYMP
SCHEMBL19543018 0.60 BLM (0.31) —
SCHEMBL24189717 0.58 SMN1; SMN2 (0.49) —

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
WO-1994000452-A1 7-NEOPENTYL XANTHINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 1994-01-06 — — WO disclosed
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