SCHEMBL21733602

SCHEMBL21733602

Cc1ccc2[nH]ncc2c1C(C)(C)Cc1n[nH]c2c(C(C)C)c(I)ccc12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 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
SCHEMBL21734001 0.88 NOS1 (0.32) NOS1
SCHEMBL18408609 0.84 — —
SCHEMBL21733971 0.75 NOS1 (0.30) NOS1
SCHEMBL24854231 0.73 — —
SCHEMBL24854886 0.71 — —
SCHEMBL21938210 0.70 IDO1 (0.38) NOS1
SCHEMBL24089313 0.68 — —
SCHEMBL24285781 0.66 IDO1 (0.34) NOS1
SCHEMBL12110234 0.66 METAP2 (0.46) NOS1
SCHEMBL17030759 0.66 IDO1 (0.41) NOS1

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-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 — — WO disclosed
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