SCHEMBL28898320

SCHEMBL28898320

O=C(O)Nc1cccnc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 2/20 0.44
KDR P35968 2/20 0.44
HTT P42858 5/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ELANE P08246 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9637625 0.88 NPC1 (0.56) KMT2ALMNAMEN1GAATHRB
SCHEMBL10745616 0.85 KMT2A (0.53) KMT2ALMNAMEN1GAATHRB
SCHEMBL9638868 0.81 BRD4 (0.48) KMT2ALMNAMEN1GAATHRB
SCHEMBL25838729 0.80 NPC1 (0.49) KMT2ALMNAMEN1GAATHRB
SCHEMBL4930503 0.79 SHMT2 (0.48) KMT2ALMNAMEN1GAATHRB
SCHEMBL4916892 0.78 KMT2A (0.49) KMT2ALMNAMEN1GAANPC1
SCHEMBL22589894 0.78 METAP1 (0.51) KMT2ALMNAMEN1GAATHRB
SCHEMBL3237870 0.78 NPC1 (0.54) KMT2ALMNAMEN1GAATHRB
SCHEMBL31419067 0.77 ALDH1A1 (0.46) KMT2ALMNAMEN1GAATHRB
SCHEMBL1620480 0.77 KMT2A (0.43) KMT2ALMNAMEN1GAATHRB

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-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed