SCHEMBL29946188

SCHEMBL29946188

O=C(O)c1ccccc1-c1cn(-c2ccc(-c3ccc4c(c3)OCCO4)cc2)nn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 4/20 0.70
ORAI1 Q96D31 4/20 0.70
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
KDM4E B2RXH2 6/20 0.45
LMNA P02545 5/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NOTUM Q6P988 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL26628296 0.82 STIM1 (1.00) STIM1ORAI1NOTUMOGT
SCHEMBL29946096 0.82 STIM1 (1.00) STIM1ORAI1NOTUMOGT
SCHEMBL29946184 0.78 STIM1 (0.84) STIM1ORAI1
SCHEMBL26628274 0.78 STIM1 (0.84) STIM1ORAI1
SCHEMBL26628290 0.77 STIM1 (0.75) STIM1ORAI1MEN1KMT2ALMNA
SCHEMBL29946201 0.77 STIM1 (0.75) STIM1ORAI1MEN1KMT2ALMNA
SCHEMBL29946195 0.76 STIM1 (0.88) STIM1ORAI1OGT
SCHEMBL26628313 0.76 STIM1 (0.88) STIM1ORAI1OGT
SCHEMBL12700430 0.73 NOTUM (0.48) NOTUMOGT
SCHEMBL26803808 0.72 STIM1 (0.57) STIM1ORAI1MEN1KMT2AKDM4E

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