SCHEMBL31592008

SCHEMBL31592008

O=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.66
MMP2 P08253 1/20 0.66
MMP9 P14780 1/20 0.66
MMP8 P22894 1/20 0.66
MMP13 P45452 1/20 0.66
SULT1A1 P50225 1/20 0.56
RORC P51449 1/20 0.53
CCNE1 P24864 2/20 0.52
CDK2 P24941 2/20 0.52
CDK5 Q00535 2/20 0.52
CDK5R1 Q15078 2/20 0.52
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL2461783 1.00 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL2628260 0.88 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL1996999 0.88 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL2464396 0.83 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL2119612 0.83 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL10311768 0.83 RORC (0.71) APPMMP2MMP9MMP8MMP13
SCHEMBL19149792 0.83 APP (0.62) APPMMP2MMP9MMP8MMP13
SCHEMBL2062033 0.83 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL21043886 0.83 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL11973034 0.83 APP (0.61) APPMMP2MMP9MMP8MMP13

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-113912563-B Benzo five-membered nitrogen heterocyclic compound and application thereof 中国科学院广州生物医药与健康研究院 2025-05-27 CN disclosed