SCHEMBL27266394

SCHEMBL27266394

CC[C@@H]1CCc2c1cc(C(=O)Nc1ncc(F)cn1)c1nncn21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.34
▸ EED O75530 4/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PTGDR2 Q9Y5Y4 5/20 0.31
▸ RBBP4 Q09028 2/20 0.31
▸ SUZ12 Q15022 2/20 0.31
▸ EZH2 Q15910 2/20 0.31
▸ MLLT3 P42568 1/20 0.30
▸ MLLT1 Q03111 1/20 0.30

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
SCHEMBL27266390 1.00 AHR (0.34) AHREEDCYP1A2CYP3A4PTGDR2
SCHEMBL27244327 1.00 AHR (0.34) AHREEDCYP1A2CYP3A4PTGDR2
SCHEMBL27244353 0.93 CYP1A2 (0.34) AHREEDCYP1A2CYP3A4PTGDR2
SCHEMBL27244330 0.87 AHR (0.46) AHREEDCYP1A2CYP3A4PTGDR2
SCHEMBL27244311 0.87 AHR (0.46) AHREEDCYP1A2CYP3A4PTGDR2
SCHEMBL27265902 0.87 AHR (0.46) AHREEDCYP1A2CYP3A4PTGDR2
SCHEMBL30972574 0.87 AHR (0.33) AHREEDCYP1A2CYP3A4PTGDR2
SCHEMBL27244339 0.86 AHR (0.35) AHREEDCYP1A2CYP3A4PTGDR2
SCHEMBL27266398 0.86 AHR (0.35) AHREEDCYP1A2CYP3A4PTGDR2
SCHEMBL27266401 0.86 AHR (0.35) AHREEDCYP1A2CYP3A4PTGDR2

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-2024107555-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2024-05-23 — — WO disclosed
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