SCHEMBL30714864

SCHEMBL30714864

O=C(N/N=C/c1ccc([N+](=O)[O-])cc1O)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
HTT P42858 3/20 0.61
KDM4E B2RXH2 3/20 0.61
HCRTR1 O43613 1/20 0.61
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 1/20 0.58
TUBB8B A6NNZ2 1/20 0.57
EGFR P00533 1/20 0.57
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57

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
SCHEMBL23698306 0.85 KMT2A (0.57) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL23698305 0.85 KMT2A (0.57) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL8291982 0.81 MAPT (0.66) MAPTMEN1KMT2AHTTNPC1
SCHEMBL30714872 0.81 MAPT (0.69) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL30714915 0.81 MAPT (0.65) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL11895756 0.79 RAB9A (0.68) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL11895758 0.79 RAB9A (0.68) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL20837848 0.79 RAB9A (0.68) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL30714900 0.78 MAPT (0.78) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL30201915 0.78 HTT (0.55) MAPTMEN1KMT2AHTTKDM4E

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
WO-2023242454-A1 HYBRID MATERIAL FOR DETECTING ACID AND BASE VAPOURS UNIVERSIDAD DE CASTILLA LA MANCHA (ES) 2023-12-21 WO disclosed