SCHEMBL31489555

SCHEMBL31489555

Cc1ccc([C@@H](C)Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHRNA7 P36544 1/20 0.46
ALDH1A1 P00352 2/20 0.43
ALOX5 P09917 1/20 0.39
CA7 P43166 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP19A1 P11511 1/20 0.35
STAT3 P40763 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 3/20 0.33
MAOA P21397 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
MAOB P27338 1/20 0.33
GRIA4 P48058 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
SCHEMBL4434585 1.00 ACHE (0.47) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL20302524 0.97 ACHE (0.44) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL1415320 0.87 ESR1 (0.38) TDP1LMNA
SCHEMBL11860118 0.82 CA1 (0.34) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL18622738 0.79 ALDH1A1 (0.53) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL5695686 0.79 TYR (0.46) ALDH1A1GAALMNAALOX12
SCHEMBL518418 0.79 ACHE (0.50) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL9510147 0.79 PTGS2 (0.39)
SCHEMBL3295160 0.79 ACHE (0.50) ACHETDP1CHRNA7ALDH1A1ALOX5
SCHEMBL4348492 0.77 ACHE (0.47) ACHETDP1CHRNA7ALDH1A1ALOX5

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed