SCHEMBL23479042

SCHEMBL23479042

C1=C(c2ccccc2)c2c(ccc3c(-c4ccc(C5N=C(c6ccc(-c7ccccc7)cc6)N=C(c6ccc(-c7ccccc7)cc6)N5)cc4)cccc23)NC1c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ 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
SCHEMBL23479055 0.88 NOS2 (0.33) NOS2
SCHEMBL23479032 0.85 — —
SCHEMBL23479428 0.84 ESR1 (0.31) —
SCHEMBL23478897 0.84 NOS2 (0.31) NOS2
SCHEMBL23479330 0.82 — —
SCHEMBL23479036 0.81 NOS2 (0.31) NOS2
SCHEMBL23479045 0.80 METAP2 (0.32) —
SCHEMBL23479415 0.79 — —
SCHEMBL24256932 0.79 CA12 (0.37) NOS2
SCHEMBL27381032 0.78 NOS2 (0.39) NOS2

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-2021112444-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-06-10 — — WO disclosed
Send feedback