SCHEMBL25349869

SCHEMBL25349869

O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.65
KMT2A Q03164 9/20 0.65
RAB9A P51151 3/20 0.61
MITF O75030 2/20 0.61
POLB P06746 2/20 0.61
NPC1 O15118 2/20 0.61
MAPT P10636 4/20 0.61
ALOX5 P09917 2/20 0.56
P4HTM Q9NXG6 1/20 0.54
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
ATM Q13315 1/20 0.51
CCR5 P51681 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
SCHEMBL9323435 0.83 MEN1 (0.67) MEN1KMT2ARAB9AMITFPOLB
SCHEMBL28464477 0.83 MAPT (0.64) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL9134339 0.81 KMT2A (0.83) MEN1KMT2ARAB9AMITFPOLB
SCHEMBL23898948 0.81 KMT2A (0.83) MEN1KMT2ARAB9AMITFPOLB
SCHEMBL8572381 0.81 KMT2A (0.83) MEN1KMT2ARAB9AMITFPOLB
SCHEMBL27903465 0.80 KMT2A (0.75) MEN1KMT2ARAB9AMITFPOLB
SCHEMBL4322184 0.79 KMT2A (0.57) MEN1KMT2ARAB9AMITFPOLB
SCHEMBL12443202 0.79 MEN1 (1.00) MEN1KMT2ARAB9AMITFPOLB
SCHEMBL25347749 0.78 SNCA (0.67) MEN1KMT2ARAB9AMITFPOLB
SCHEMBL25348233 0.78 TOP1 (0.56) MEN1KMT2ARAB9ANPC1MAPT

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-2023149548-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 WO disclosed