SCHEMBL30815587

SCHEMBL30815587

[2H]C([2H])([2H])Oc1ccc([N+](=O)[O-])c(Nc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 8/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 2/20 0.33
MAPT P10636 2/20 0.33
MGMT P16455 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
PTK2B Q14289 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL29325261 0.93 TXNRD1 (0.40) TXNRD1MAPTMAPK1RAB9AIDO1
SCHEMBL27226473 0.87 P2RX3 (0.36) TXNRD1MAOAMAOBMAPTMGMT
SCHEMBL27226444 0.86 TXNRD1 (0.39) TXNRD1MAOAMAOBMAPTNPC1
SCHEMBL27226601 0.83 MAPT (0.43) TXNRD1MAPTNPC1NFKB1MAPK1
SCHEMBL27226314 0.83 MGMT (0.36) MAPTMGMTNPC1NFKB1MAPK1
SCHEMBL27226976 0.79 ABCG2 (0.35) MAPTMGMTNPC1NFKB1MAPK1
SCHEMBL27226688 0.78 MAPT (0.44) MAPTMAPK1MEN1CYP1A2CYP2C9
SCHEMBL30815326 0.77 ABCG2 (0.40) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL27226818 0.77 ABCG2 (0.40) MAPTNPC1NFKB1MAPK1RAB9A
SCHEMBL27226638 0.76 BRD4 (0.32) MAOAHSF1BRD4

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
EP-4594318-A1 AKT1 MODULATORS Alterome Therapeutics, Inc. (US) 2025-08-06 EP disclosed
WO-2024073371-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed