SCHEMBL28864465

SCHEMBL28864465

Clc1ccccc1-c1ccc(-n2cc(-c3ccccc3)nn2)cc1.NC(=O)c1cncc(-c2ccc(-n3cc(-c4ccccc4)nn3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 7/20 0.48
ORAI1 Q96D31 7/20 0.48
OPRD1 P41143 2/20 0.47
P2RY14 Q15391 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
OGT O15294 2/20 0.47
MKNK1 Q9BUB5 2/20 0.46
MKNK2 Q9HBH9 2/20 0.46
KCNH2 Q12809 1/20 0.45
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
PTGS2 P35354 2/20 0.43
MIF P14174 1/20 0.43
CA1 P00915 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
BCHE P06276 1/20 0.42
PTGS1 P23219 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL28864472 0.91 OGT (0.55) STIM1ORAI1OPRD1P2RY14SIGMAR1
SCHEMBL26628282 0.81 BCHE (0.61) STIM1ORAI1OGTCA12CA2
SCHEMBL2488476 0.72 MKNK1 (0.77) MKNK1MKNK2
SCHEMBL29946192 0.72 STIM1 (0.76) STIM1ORAI1OPRD1P2RY14SIGMAR1
SCHEMBL26628304 0.72 STIM1 (0.76) STIM1ORAI1OPRD1P2RY14SIGMAR1
SCHEMBL28864459 0.71 BCHE (0.57) OGTCA12CA2CA9PTGS2
SCHEMBL26628312 0.71 PTGS2 (0.67) OGTCA12CA2CA9PTGS2
SCHEMBL4500055 0.69 SCN9A (0.54) SCN9A
SCHEMBL30093108 0.69 GABRA1 (0.50) P2RY14OGTCA12CA2CA9
SCHEMBL29269323 0.69 OGT (0.61) STIM1ORAI1OPRD1P2RY14SIGMAR1

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