Sugi Predict

Sugi Predict / Compounds / SCHEMBL24744461

SCHEMBL24744461

SCHEMBL24744461

CC1(C)c2cc(-c3cc4ccccc4c4ccccc34)ccc2-c2c(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)ccc3cccc1c23

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GPR84 Q9NQS5 2/20 0.31
▸ CYP11B1 P15538 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
SCHEMBL24744453 0.97 ALDH1A1 (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL24744462 0.94 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL24744455 0.92 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL24744171 0.91 GPR84 (0.31) GPR84
SCHEMBL24744168 0.90 PDK2 (0.33) L3MBTL1
SCHEMBL24744367 0.90 GPR84 (0.34) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL24744162 0.89 PDK2 (0.34) L3MBTL1
SCHEMBL24744173 0.89 PDK2 (0.34) L3MBTL1
SCHEMBL24744176 0.89 PDK2 (0.34) L3MBTL1
SCHEMBL24744216 0.89 PDK2 (0.30) —

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-2022260240-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2022-12-15 — — WO disclosed