SCHEMBL31451529

SCHEMBL31451529

Cc1c(N)cc(F)cc1-c1nc2ccc(Br)cn2n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 11/20 0.54
▸ CYP11B2 P19099 3/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ APP P05067 2/20 0.36
▸ PIK3CG P48736 1/20 0.33
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1E P49674 1/20 0.31

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
SCHEMBL30601227 0.71 AHR (1.00) AHRCYP11B2CYP11B1APPCSNK1D
SCHEMBL31451563 0.71 CSNK1D (0.41) AHRCSNK1DCSNK1E
SCHEMBL31451448 0.70 NUDT1 (0.35) AHRCYP11B2
SCHEMBL30601186 0.68 AHR (1.00) AHRAPP
SCHEMBL30601225 0.68 AHR (1.00) AHRCYP11B2CYP11B1PIK3CG
SCHEMBL24782810 0.68 AHR (0.46) AHRCYP11B2CYP11B1
SCHEMBL30601215 0.67 AHR (1.00) AHRAPPPIK3CG
SCHEMBL43051 0.66 AHR (0.58) AHRAPPPIK3CG
SCHEMBL618586 0.66 AHR (0.60) AHRAPPPIK3CG
SCHEMBL31451683 0.66 APP (0.56) APP

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-2025054187-A1 TGR5 ANTAGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2025-03-13 — — WO disclosed
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