SCHEMBL24890286

SCHEMBL24890286

c1ccc(-c2cc(C3=NC(c4ccccc4)NC(c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)N3)c3c(c2)oc2ccccc23)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL24886508 0.95 HCRTR1 (0.31) HCRTR1
SCHEMBL24886777 0.95 — —
SCHEMBL24886515 0.94 — —
SCHEMBL24890057 0.93 KDM4E (0.31) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL24907724 0.92 HCRTR1 (0.31) HCRTR1
SCHEMBL24907720 0.89 — —
SCHEMBL24949464 0.87 GPR84 (0.30) —
SCHEMBL24889997 0.87 HCRTR1 (0.30) HCRTR1
SCHEMBL24907520 0.87 KDM4E (0.32) KDM4EALDH1A1MAPTHPGDALOX15
SCHEMBL24634338 0.86 ALDH1A1 (0.33) 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
WO-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 — — WO disclosed
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