Sugi Predict

Sugi Predict / Compounds / SCHEMBL24930630

SCHEMBL24930630

SCHEMBL24930630

C1=Cc2oc3cccc(-c4ccccc4-c4nc(-c5ccc6ccccc6c5)nc(-c5cc6ccccc6c6ccc7ccccc7c56)n4)c3c2CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GPR84 Q9NQS5 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
SCHEMBL26326973 0.87 KDM4E (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL24930643 0.86 L3MBTL1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL26052121 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL25846010 0.84 ALDH1A1 (0.43) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL24655529 0.83 HCRTR1 (0.32) —
SCHEMBL25622508 0.82 MAPT (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL26292531 0.82 MAPT (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL26050435 0.81 PRKDC (0.32) GPR84
SCHEMBL24973289 0.80 PRKDC (0.32) GPR84
SCHEMBL23759529 0.80 L3MBTL1 (0.40) ALDH1A1HPGDTSHRMAPK1CASP1

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-2023003146-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-01-26 — — WO disclosed