SCHEMBL28864459

SCHEMBL28864459

Clc1cc(-n2cc(-c3ccccc3)nn2)ccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.57
CA2 P00918 4/20 0.55
CA9 Q16790 4/20 0.55
CA12 O43570 3/20 0.55
CA1 P00915 3/20 0.51
FLT3 P36888 3/20 0.51
PTGS2 P35354 2/20 0.51
GSK3B P49841 2/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
PTGS1 P23219 1/20 0.51
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
HSD17B1 P14061 2/20 0.47
HSD17B2 P37059 2/20 0.47
OGT O15294 2/20 0.46
MAPT P10636 1/20 0.46
SNCA P37840 1/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45

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
SCHEMBL26628282 0.85 BCHE (0.61) BCHECA2CA9CA12CA1
SCHEMBL28331490 0.84 BCHE (0.56) BCHECA2CA9CA12CA1
SCHEMBL28330114 0.80 FLT3 (0.73) BCHECA2CA9CA12CA1
SCHEMBL28864475 0.79 STIM1 (0.54) CA2CA9CA12CA1PTGS2
SCHEMBL28956663 0.78 FLT3 (0.56) BCHECA2CA9CA12CA1
SCHEMBL26628312 0.77 PTGS2 (0.67) BCHECA2CA9CA12CA1
SCHEMBL1119554 0.77 PTGS2 (0.66) BCHECA2CA9CA12CA1
SCHEMBL28956789 0.77 PTGS2 (0.66) CA2CA9CA12CA1PTGS2
SCHEMBL29946114 0.77 STIM1 (0.55) BCHECA2CA9CA12CA1
SCHEMBL26628280 0.77 STIM1 (0.55) BCHECA2CA9CA12CA1

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
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 claimed
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