SCHEMBL24357366

SCHEMBL24357366

c1ccc(C2=NC(c3ccccc3)NC(c3ccc(-c4cccc5oc6cc(-c7ccc8ccccc8c7)ccc6c45)cc3)N2)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 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
SCHEMBL24357377 0.99 HCRTR1 (0.31) HCRTR1HSD17B1HSD17B2
SCHEMBL24889934 0.93 HCRTR1 (0.31) HCRTR1ALDH1A1MAPT
SCHEMBL24356806 0.92 HCRTR1 (0.31) HCRTR1
SCHEMBL24890297 0.92 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL24948022 0.92 ALDH1A1 (0.31) HCRTR1ALDH1A1MAPT
SCHEMBL26411586 0.91 ALDH1A1 (0.32) HCRTR1ALDH1A1MAPT
SCHEMBL24356429 0.90 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL24356551 0.90 — —
SCHEMBL24356474 0.89 HCRTR1 (0.31) HCRTR1ALDH1A1MAPT
SCHEMBL24890301 0.88 ALDH1A1 (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022086297-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 — — WO disclosed
WO-2022086296-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 — — WO disclosed
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