SCHEMBL30802494

SCHEMBL30802494

O=C(O)NCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 4/20 0.63
NFKB1 P19838 1/20 0.63
MAPK1 P28482 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 3/20 0.46
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.44
GLA P06280 1/20 0.43

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
SCHEMBL7161060 0.89 MAPT (0.59) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL7161066 0.89 MAPT (0.59) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL30815412 0.84 MAPT (0.57) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL27227083 0.84 MAPT (0.57) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL20603943 0.84 MAPT (0.65) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL12970394 0.84 MAPT (0.64) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL30826715 0.84 MAPT (0.64) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL7693197 0.84 NPC1 (0.53) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL7693196 0.84 NPC1 (0.53) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL30802410 0.82 MAPT (0.59) MAPTNPC1RAB9ANFKB1MAPK1

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-2024054512-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed