SCHEMBL29946232

SCHEMBL29946232

O=C(O)c1cccc(-c2cn(-c3ccc(Br)cc3)nn2)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 11/20 0.66
ORAI1 Q96D31 11/20 0.66
LDHA P00338 2/20 0.61
KEAP1 Q14145 3/20 0.61
NFE2L2 Q16236 3/20 0.61
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
P2RY14 Q15391 2/20 0.52
TRPC1 P48995 2/20 0.52
TRPC3 Q13507 2/20 0.52
STIM2 Q9P246 1/20 0.52

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
SCHEMBL26628324 1.00 STIM1 (0.66) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946192 0.89 STIM1 (0.76) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26628304 0.89 STIM1 (0.76) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946256 0.88 STIM1 (0.63) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL1430338 0.88 STIM1 (0.63) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26803794 0.87 STIM1 (0.69) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL21122080 0.86 STIM1 (0.65) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL1430047 0.84 STIM1 (0.65) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL1429965 0.84 STIM1 (0.83) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946172 0.84 STIM1 (0.72) STIM1ORAI1LDHAKEAP1NFE2L2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4106871-A1 BIPHENYL COMPOUNDS AS SOCE MODULATORS, COMPOSITIONS AND USES THEREOF Università degli Studi del Piemonte Orientale "Amedeo Avogadro" (IT) 2022-12-28 EP disclosed
CN-115243765-A Biphenyl compounds as SOCE modulators, compositions and uses thereof 皮埃蒙特阿米阿伏伽德罗东方大学 2022-10-25 CN disclosed