SCHEMBL5545932

SCHEMBL5545932

ONCc1ccc2[nH]nnc2c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ NOS1 P29475 2/20 0.32
▸ NOS2 P35228 1/20 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
SCHEMBL1692572 0.80 HSD17B10 (0.39) —
SCHEMBL501616 0.80 MEN1 (0.39) —
SCHEMBL263592 0.77 GAA (0.42) NOS1NOS2
SCHEMBL7127295 0.77 — —
SCHEMBL3824241 0.77 — —
SCHEMBL241363 0.77 TP53 (0.37) NOS1NOS2
Hydrochloric Acid SCHEMBL7214713 0.75 GAA (0.44) NOS1NOS2
SCHEMBL118587 0.75 KDM4E (0.53) —
SCHEMBL3737872 0.74 — —
SCHEMBL241224 0.74 CNR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 — — EP disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 — — WO disclosed
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