SCHEMBL31276114

SCHEMBL31276114

O=[N+]([O-])c1cccc(-n2ncc(Br)c2-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
HPGD P15428 3/20 0.62
GFER P55789 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPK14 Q16539 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CASP3 P42574 1/20 0.50
HTT P42858 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48

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
SCHEMBL31276130 0.85 PTGS1 (0.51) MAPTRAB9ANPC1HPGDGFER
SCHEMBL10814864 0.79 MAPT (0.60) MAPTRAB9ANPC1HPGDGFER
SCHEMBL31276196 0.79 LMNA (0.56) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL31276289 0.77 MAPK14 (0.46) MAPTRAB9ANPC1HPGDMAPK14
SCHEMBL31276388 0.76 LMNA (0.53) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4217545 0.74 RAB9A (0.48) MAPTRAB9ANPC1CYP1A2SMN1; SMN2
SCHEMBL1846495 0.73 MAPT (0.61) MAPTRAB9ANPC1HPGDGFER
SCHEMBL30725849 0.73 MAPT (0.57) MAPTRAB9ANPC1HPGDGFER
SCHEMBL15330680 0.73 MAPT (0.51) MAPTRAB9ANPC1HPGDGFER
SCHEMBL10817035 0.72 MAPT (0.50) MAPTRAB9ANPC1HPGDGFER

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-119019332-A 1, 5-Disubstituted-4-bromopyrazole compound and preparation method and application thereof 赣南师范大学 2024-11-26 CN disclosed