SCHEMBL25079226

SCHEMBL25079226

Cn1nc(I)c2cccc(OCc3ccc(CN)cc3)c21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ APP P05067 4/20 0.39
▸ F2 P00734 1/20 0.38
▸ MAOB P27338 4/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL30257342 0.76 ADORA1 (0.56) ADORA3ADORA1ADORA2AHTR3ALTA4H
SCHEMBL25079149 0.73 HTR3A (0.48) ADORA3ADORA1ADORA2AHTR3AMAOB
SCHEMBL7354904 0.70 HTR3A (0.61) ADORA3ADORA1ADORA2AHTR3AMAPT
SCHEMBL7356830 0.68 HTR3A (0.58) ADORA3ADORA1ADORA2AHTR3AMAOB
SCHEMBL31444008 0.68 PKM (0.43) ADORA3MAOBMAPTTDP1L3MBTL1
SCHEMBL20389071 0.67 ALKBH5 (0.43) MAPTNPC1RAB9A
SCHEMBL30706223 0.66 LMNA (0.37) MAPTL3MBTL1NPC1RAB9A
SCHEMBL25079216 0.66 MAPT (0.41) HTR3AAPPMAPTTDP1
SCHEMBL15264273 0.66 APP (0.69) APPMAOBMAPTMAPK1TDP1
SCHEMBL25079151 0.65 ADORA3 (0.45) ADORA3ADORA1ADORA2AHTR3AMAPT

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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