SCHEMBL18965470

SCHEMBL18965470

Brc1ccc(-c2ccc(-c3ccc(C4=CC(c5ccc(-c6ccccc6)cc5)=NC(c5ccccc5)N4)cc3)c3ccccc23)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.32

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
SCHEMBL18965484 1.00 NOS2 (0.32) NOS2
SCHEMBL24752492 0.82 GSK3B (0.35) NOS2
SCHEMBL19315263 0.81 ALDH1A1 (0.40) NOS2
SCHEMBL15860822 0.81 NOS2 (0.41) NOS2
SCHEMBL24787775 0.81 MECP2 (0.35) NOS2
SCHEMBL24752556 0.81 CKS1B (0.35) NOS2
SCHEMBL19534098 0.80 ALDH1A1 (0.43) NOS2
SCHEMBL18965434 0.80 — —
SCHEMBL17969930 0.79 MEN1 (0.37) NOS2
SCHEMBL19622680 0.78 CA12 (0.40) 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-2017099430-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-15 — — WO disclosed
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