SCHEMBL21608723

SCHEMBL21608723

Cc1cc2c(s1)-c1sc3cc(C)sc3c1C2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL25614076 0.88 — —
SCHEMBL18405840 0.85 PKM (0.31) PKMNPSR1RXFP1
SCHEMBL27395264 0.85 NOS3 (0.33) NOS3NOS2
SCHEMBL18135050 0.83 PKM (0.38) PKMNPSR1RXFP1
SCHEMBL18405839 0.82 PKM (0.35) PKMNPSR1RXFP1
SCHEMBL25748022 0.76 — —
SCHEMBL1823806 0.76 NOS3 (0.39) NOS3NOS2
SCHEMBL18407873 0.75 — —
SCHEMBL12565235 0.74 NOS3 (0.32) NOS3NOS2
SCHEMBL25612795 0.73 NOS3 (0.33) NOS3NOS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
WO-2023120359-A1 COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT USING SAME 住友化学株式会社 2023-06-29 — — WO disclosed
WO-2019243216-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-12-26 — — WO disclosed
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