SCHEMBL30802492

SCHEMBL30802492

O=C(O)NCc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
HTT P42858 1/20 0.49
PIN1 Q13526 1/20 0.44
FGFR4 P22455 1/20 0.43
HPGD P15428 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
GSK3B P49841 3/20 0.41
AURKA O14965 2/20 0.41
GSK3A P49840 2/20 0.41
MEN1 O00255 5/20 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
SCHEMBL2177544 0.86 BRD4 (0.48) MAPTHTTFGFR4NPC1RAB9A
SCHEMBL3643232 0.85 MAPT (0.53) MAPTHTTHPGDCYP1A2CYP3A4
SCHEMBL3643236 0.85 MAPT (0.53) MAPTHTTHPGDCYP1A2CYP3A4
SCHEMBL27227145 0.85 MAPT (0.54) MAPTHTTPIN1FGFR4CYP1A2
SCHEMBL19666538 0.83 PIN1 (0.67) MAPTPIN1HPGDCYP1A2CYP3A4
SCHEMBL2195898 0.82 MAPT (0.51) MAPTHTTPIN1FGFR4CYP1A2
SCHEMBL27227387 0.82 GSK3A (0.59) MAPTHTTPIN1FGFR4NPC1
SCHEMBL13570773 0.82 MAPT (0.52) MAPTHTTPIN1FGFR4CYP1A2
SCHEMBL718271 0.80 MAPT (0.51) MAPTHTTPIN1FGFR4CYP1A2
SCHEMBL9984006 0.80 MAPT (0.55) MAPTHTTPIN1FGFR4CYP1A2

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