SCHEMBL28864472

SCHEMBL28864472

NC(=O)c1cncc(-c2ccc(-n3cc(-c4ccccc4)nn3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGT O15294 3/20 0.55
MKNK1 Q9BUB5 3/20 0.54
MKNK2 Q9HBH9 3/20 0.54
OPRD1 P41143 3/20 0.54
P2RY14 Q15391 3/20 0.54
SIGMAR1 Q99720 1/20 0.54
STIM1 Q13586 4/20 0.52
ORAI1 Q96D31 4/20 0.52
KCNH2 Q12809 2/20 0.52
PTGS2 P35354 2/20 0.51
CA12 O43570 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
MIF P14174 1/20 0.51
CA1 P00915 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
PTGS1 P23219 1/20 0.48
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47

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
SCHEMBL28864465 0.91 STIM1 (0.48) OGTMKNK1MKNK2OPRD1P2RY14
SCHEMBL2488476 0.79 MKNK1 (0.77) MKNK1MKNK2
SCHEMBL26628304 0.79 STIM1 (0.76) OGTOPRD1P2RY14SIGMAR1STIM1
SCHEMBL29946192 0.79 STIM1 (0.76) OGTOPRD1P2RY14SIGMAR1STIM1
SCHEMBL26628312 0.78 PTGS2 (0.67) OGTPTGS2CA12CA2CA9
SCHEMBL30093108 0.76 GABRA1 (0.50) OGTP2RY14PTGS2CA12CA2
SCHEMBL29269323 0.76 OGT (0.61) OGTOPRD1P2RY14SIGMAR1STIM1
SCHEMBL30166588 0.75 MAP4K4 (0.53) MKNK1MKNK2
SCHEMBL20240506 0.75 MAP4K4 (0.53) MKNK1MKNK2
SCHEMBL21122080 0.73 STIM1 (0.65) OGTOPRD1P2RY14SIGMAR1STIM1

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