SCHEMBL11846958

SCHEMBL11846958

CSc1nc(=O)n(C2CCC(C(C)(C)C)CC2)c(=O)[nH]1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OGFRL1 Q5TC84 1/20 0.31
▸ TRPV6 Q9H1D0 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2B P29275 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
SCHEMBL11852496 0.84 ADORA3 (0.42) ADORA3ADORA2B
SCHEMBL11847035 0.82 ADORA3 (0.41) ADORA3ADORA2B
SCHEMBL11873899 0.82 ADORA3 (0.41) ADORA3ADORA2B
SCHEMBL11841367 0.81 ADORA3 (0.40) ADORA3ADORA2B
SCHEMBL11842164 0.78 MAPT (0.34) —
SCHEMBL11849094 0.78 MAT2A (0.34) OGFRL1TRPV6ADORA3ADORA2B
SCHEMBL11845839 0.74 JAK2 (0.43) ADORA3ADORA2B
SCHEMBL11843735 0.71 HCAR1 (0.41) ADORA3ADORA2B
SCHEMBL11845235 0.71 HCAR1 (0.43) —
SCHEMBL11855513 0.69 HTT (0.37) —

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
US-3983116-A Herbicidal triazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-28 — — US disclosed
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