SCHEMBL21098120

SCHEMBL21098120

COC(O)c1ccnc(O)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ BLM P54132 1/20 0.30
▸ PMP22 Q01453 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
SCHEMBL19633231 0.81 UHRF1 (0.43) ACHECCR1CCR5CCR8
SCHEMBL19992429 0.79 LOX (0.44) NOS3NOS1NOS2ACHECCR1
SCHEMBL681637 0.75 PTGS1 (0.43) —
SCHEMBL23727271 0.75 LOXL2 (0.41) —
SCHEMBL27045873 0.75 KDM5A (0.35) NOS3NOS1NOS2
SCHEMBL28969184 0.72 CYP3A4 (0.30) —
SCHEMBL25299834 0.72 ADRB2 (0.35) NOS3NOS1NOS2NFKB1BLM
SCHEMBL23029937 0.72 CYP17A1 (0.33) —
SCHEMBL29002085 0.72 MT-CO2 (0.48) —
SCHEMBL11334424 0.71 — —

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
WO-2024073475-A1 CEREBLON LIGANDS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A PROTEOVANT THERAPEUTICS, INC. (US) 2024-04-04 — — WO disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 — — WO disclosed
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