SCHEMBL26411586

SCHEMBL26411586

c1ccc(C2=NC(c3ccc4cc(-c5cccc6oc7cc(-c8ccccc8)ccc7c56)ccc4c3)NC(c3ccc(-c4cccc5ccccc45)cc3)N2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL24948022 0.96 ALDH1A1 (0.31) ALDH1A1MAPTHCRTR1CA12CA1
SCHEMBL24357377 0.91 HCRTR1 (0.31) HCRTR1
SCHEMBL24357366 0.91 HCRTR1 (0.31) ALDH1A1MAPTHCRTR1
SCHEMBL24886834 0.90 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL26570237 0.90 P2RX7 (0.30) —
SCHEMBL24886514 0.89 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL24890264 0.88 — —
SCHEMBL24356806 0.88 HCRTR1 (0.31) HCRTR1
SCHEMBL24890301 0.88 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL24356429 0.88 ALDH1A1 (0.31) ALDH1A1MAPT

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
EP-4254527-A1 ORGANIC LIGHT EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-10-04 — — EP disclosed
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