SCHEMBL28810936

SCHEMBL28810936

O=[N+]([O-])c1ccc(-c2ncco2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
HPGDS O60760 1/20 0.45
LTA4H P09960 2/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 7/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.36
HDAC4 P56524 1/20 0.35
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.32

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
SCHEMBL984873 0.78 KCNJ1 (0.67) KCNJ1KCNH2LTA4HPOLBMAPT
SCHEMBL31734574 0.74 HPGDS (0.51) KCNJ1KCNH2HPGDSLTA4HRAB9A
SCHEMBL722557 0.72 LTA4H (0.64) KCNJ1KCNH2HPGDSLTA4HHDAC4
SCHEMBL29033804 0.72 KCNJ1 (0.44) KCNJ1KCNH2HPGDSLTA4HPOLB
SCHEMBL23833623 0.72 HPGDS (0.53) KCNJ1KCNH2HPGDSLTA4HHDAC4
SCHEMBL30094483 0.72 HPGDS (0.53) KCNJ1KCNH2HPGDSLTA4HHDAC4
SCHEMBL3043645 0.71 LTA4H (0.63) KCNJ1KCNH2LTA4HMAPTRAB9A
SCHEMBL6354500 0.71 MAPT (0.47) KCNJ1KCNH2LTA4HPOLBMAPT
SCHEMBL27218089 0.71 MAPT (0.55) KCNJ1KCNH2MAPTLMNAALDH1A1
SCHEMBL1830727 0.71 NPC1 (0.55) KCNJ1KCNH2LTA4HPOLBMAPT

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-114901280-B MrgprX2 antagonists and uses thereof 德米拉公司 2025-05-27 CN disclosed
CN-114901280-A MrgprX2 antagonists and uses thereof 德米拉公司 2022-08-12 CN disclosed