SCHEMBL27277425

SCHEMBL27277425

Clc1cc(Br)ccc1-c1ccc2c(c1)Oc1ccccc1O2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 12/20 0.59
▸ EGFR P00533 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ CYP19A1 P11511 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
SCHEMBL27277506 0.84 MAPK1 (0.44) AHRCYP19A1
SCHEMBL27277199 0.83 AHR (0.53) AHRSMN1; SMN2
SCHEMBL31637059 0.82 AHR (0.43) AHRSMN1; SMN2
SCHEMBL25818508 0.77 AHR (0.50) AHRSMN1; SMN2
SCHEMBL18563330 0.77 AHR (0.69) AHREGFRSMN1; SMN2
SCHEMBL47076 0.76 AHR (1.00) AHREGFRSIRT1SMN1; SMN2
SCHEMBL30434673 0.76 AHR (1.00) AHREGFRSIRT1SMN1; SMN2
SCHEMBL27277655 0.76 AHR (0.49) AHRSMN1; SMN2ESR2
SCHEMBL2402017 0.75 CYP2A6 (0.54) SMN1; SMN2ESR1CYP19A1
SCHEMBL24307193 0.75 CYP2A6 (0.55) SMN1; SMN2ESR1ESR2

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-2024101948-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2024-05-16 — — WO disclosed
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