SCHEMBL25079216

SCHEMBL25079216

Cn1nc(I)c2cccc(O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ HTR3A P46098 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ CTSV O60911 6/20 0.39
▸ PTGS2 P35354 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ APP P05067 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL20389071 0.79 ALKBH5 (0.43) MAPTKDM4EALDH1A1CYP1A2LMNA
SCHEMBL30706223 0.78 LMNA (0.37) MAPTHTTKDM4EHPGDHSD17B10
SCHEMBL7360572 0.74 HTR3A (0.52) MAPTHTR3AHTTCTSVKDM4E
SCHEMBL31554686 0.71 GAA (0.48) MAPTALDH1A1GAATSHRTDP1
SCHEMBL5565026 0.68 GPR3 (0.44) KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL31172010 0.68 GPR3 (0.44) KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL25079226 0.66 ADORA3 (0.40) MAPTHTR3AAPPTDP1
SCHEMBL31575008 0.66 LMNA (0.33) THRBLMNATP53
SCHEMBL31569813 0.66 RXFP1 (0.36) MAPTLMNA
SCHEMBL31330822 0.64 L3MBTL1 (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-2023023531-A1 ESTROGEN RECEPTOR DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-02-23 — — WO disclosed
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