SCHEMBL30104052

SCHEMBL30104052

O=[N+]([O-])c1cc(I)cc(-n2cccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
NOTUM Q6P988 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4B Q07343 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
HTT P42858 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.34
G6PD P11413 1/20 0.34

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
SCHEMBL23702646 1.00 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMAPK1KEAP1
SCHEMBL31413300 0.82 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMAPK1KEAP1
SCHEMBL23712697 0.82 TSHR (0.50) ALDH1A1LMNAKDM4EMAPK1MEN1
SCHEMBL23702657 0.82 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMAPK1KEAP1
SCHEMBL2643542 0.78 KEAP1 (0.52) ALDH1A1LMNAKDM4EKEAP1NFE2L2
SCHEMBL4449726 0.76 NOTUM (0.55) ALDH1A1LMNAKDM4EMAPK1NOTUM
SCHEMBL22686997 0.74 HSPB1 (0.52) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL16342745 0.74 SMN1; SMN2 (0.50) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL23702605 0.72 NOTUM (0.42) ALDH1A1LMNAKDM4EMAPK1NOTUM
SCHEMBL30104024 0.72 NOTUM (0.42) ALDH1A1LMNAKDM4EMAPK1NOTUM

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-115698020-B Macrocyclic RIP 2-kinase inhibitors 昂科迪塞恩精密医药公司(OPM) 2025-02-25 CN disclosed
EP-4097110-A1 MACROCYCLIC RIP2-KINASE INHIBITORS Oncodesign S.A. (FR) 2022-12-07 EP disclosed