SCHEMBL19375382

SCHEMBL19375382

CC(C)c1ccccc1-c1nc2c(n1Cc1ccccc1)C(=O)N(CCCO)C(=O)C(I)C2

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 15/20 0.41
▸ TRPC5 Q9UL62 3/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36

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
SCHEMBL20432433 0.91 USP1 (0.39) USP1TRPC5
SCHEMBL18835271 0.79 MDM2 (0.37) TRPC5ADORA3
SCHEMBL18835033 0.74 USP1 (0.39) USP1TRPC5ADORA3
SCHEMBL20432139 0.74 PDE5A (0.39) ADORA3
SCHEMBL18834415 0.71 ALDH1A1 (0.44) ADORA3
SCHEMBL20432208 0.71 PDE5A (0.37) ADORA3
SCHEMBL16028775 0.70 TRPC5 (0.54) TRPC5ADORA3
SCHEMBL19375150 0.69 USP1 (0.41) USP1TRPC5
SCHEMBL21345626 0.64 MEN1 (0.40) —
SCHEMBL18835410 0.64 PDE5A (0.39) —

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-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
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