SCHEMBL23928456

SCHEMBL23928456

O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccco1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 4/20 0.65
TDP1 Q9NUW8 4/20 0.65
NOD2 Q9HC29 4/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 5/20 0.63
LMNA P02545 5/20 0.63
MAPT P10636 5/20 0.63
POLB P06746 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
CYP3A4 P08684 3/20 0.63
KDM4E B2RXH2 3/20 0.63
CYP1A2 P05177 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
GAA P10253 1/20 0.63
STAT3 P40763 1/20 0.63
HTT P42858 2/20 0.63
CYP2D6 P10635 1/20 0.63
HIF1A Q16665 1/20 0.63

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
SCHEMBL23928455 1.00 MITF (0.65) MITFTDP1NOD2RAB9AALDH1A1
SCHEMBL29264533 0.82 MAPT (0.68) TDP1RAB9AALDH1A1LMNAMAPT
SCHEMBL24185004 0.81 LMNA (0.79) MITFTDP1NOD2RAB9AALDH1A1
SCHEMBL32675144 0.81 LMNA (0.79) MITFTDP1NOD2RAB9AALDH1A1
SCHEMBL17988121 0.78 MITF (0.71) MITFTDP1NOD2RAB9AALDH1A1
Nihydrazone SCHEMBL525528 0.78 HTT (1.00) MITFTDP1NOD2RAB9AALDH1A1
Nitrofurazone SCHEMBL25417 0.78 LMNA (1.00) MITFTDP1NOD2RAB9AALDH1A1
Nihydrazone SCHEMBL525529 0.78 HTT (1.00) MITFTDP1NOD2RAB9AALDH1A1
Nitrofurazone SCHEMBL25416 0.78 LMNA (1.00) MITFTDP1NOD2RAB9AALDH1A1
Nitrofurazone SCHEMBL3681048 0.78 LMNA (1.00) MITFTDP1NOD2RAB9AALDH1A1

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
US-20210330645-A1 ANTIBACTERIAL COMBINATIONS MASSEY UNIVERSITY (NZ) 2021-10-28 US disclosed