SCHEMBL29946256

SCHEMBL29946256

O=C(O)c1cccc(-n2cc(-c3ccc(Br)cc3)nn2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 8/20 0.63
ORAI1 Q96D31 8/20 0.63
KEAP1 Q14145 1/20 0.63
NFE2L2 Q16236 1/20 0.63
P2RY14 Q15391 4/20 0.60
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
LDHA P00338 2/20 0.55
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 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
SCHEMBL1430338 1.00 STIM1 (0.63) STIM1ORAI1KEAP1NFE2L2P2RY14
SCHEMBL26628305 0.90 KEAP1 (0.69) STIM1ORAI1KEAP1NFE2L2P2RY14
SCHEMBL29946136 0.90 KEAP1 (0.69) STIM1ORAI1KEAP1NFE2L2P2RY14
SCHEMBL26628324 0.88 STIM1 (0.66) STIM1ORAI1KEAP1NFE2L2P2RY14
SCHEMBL29946232 0.88 STIM1 (0.66) STIM1ORAI1KEAP1NFE2L2P2RY14
SCHEMBL1429925 0.87 STIM1 (0.64) STIM1ORAI1KEAP1NFE2L2P2RY14
SCHEMBL1427395 0.87 STIM1 (0.66) STIM1ORAI1KEAP1NFE2L2P2RY14
SCHEMBL2711661 0.87 STIM1 (0.67) STIM1ORAI1KEAP1NFE2L2P2RY14
SCHEMBL14997532 0.84 KEAP1 (0.65) STIM1ORAI1KEAP1NFE2L2P2RY14
SCHEMBL1429953 0.84 STIM1 (0.62) STIM1ORAI1KEAP1NFE2L2P2RY14

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
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