SCHEMBL28672386

SCHEMBL28672386

C1=Cc2c([nH]c3c2oc2ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ RXFP1 Q9HBX9 7/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ PPARG P37231 6/20 0.39
▸ NR2E3 Q9Y5X4 6/20 0.39
▸ NCOR2 Q9Y618 6/20 0.39
▸ KDM4E B2RXH2 6/20 0.37
▸ LMNA P02545 4/20 0.37
▸ GLA P06280 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ FLT3 P36888 1/20 0.37

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
SCHEMBL24727137 0.87 ERCC5 (0.39) ERCC5FEN1RXFP1ALDH1A1PPARG
SCHEMBL18774623 0.72 ERCC5 (0.56) ERCC5FEN1RXFP1ALDH1A1PPARG
SCHEMBL17454816 0.71 CYP1A2 (0.43) ALDH1A1KDM4ELMNAGLAHSD17B10
SCHEMBL13183717 0.71 CYP1A2 (0.49) ALDH1A1KDM4ELMNAGLAHSD17B10
SCHEMBL454277 0.70 HTR2A (0.43) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL24586272 0.69 AHR (0.39) ERCC5FEN1ALDH1A1KDM4EGLA
SCHEMBL22180535 0.69 FEN1 (0.43) FEN1KDM4ECSF1RHTTHRH4
SCHEMBL12241283 0.68 SIGMAR1 (0.38) ALDH1A1KDM4EGLAHSD17B10GAA
SCHEMBL17881854 0.68 — —
SCHEMBL7499024 0.66 ERCC5 (0.50) ERCC5FEN1RXFP1ALDH1A1PPARG

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
CN-113166165-B Heterocyclic compound and organic light-emitting diode comprising same 株式会社LG化学 2023-11-24 — — CN disclosed
CN-113166165-A Heterocyclic compound and organic light emitting diode comprising same 株式会社LG化学 2021-07-23 — — CN disclosed
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