SCHEMBL30896403

SCHEMBL30896403

COC(=O)CC(Nc1nc(Cl)ccc1[N+](=O)[O-])C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
HTT P42858 1/20 0.61
MERTK Q12866 1/20 0.40
LMNA P02545 1/20 0.38
FGFR4 P22455 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RPS6KB2 Q9UBS0 2/20 0.38
TXNRD1 Q16881 2/20 0.38
GSTP1 P09211 3/20 0.37
GSTM2 P28161 3/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSR P00390 1/20 0.35
PKM P14618 1/20 0.35
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL16754633 1.00 MAPT (0.61) MAPTHTTMERTKLMNAFGFR4
SCHEMBL16238625 1.00 MAPT (0.61) MAPTHTTMERTKLMNAFGFR4
SCHEMBL16238623 1.00 MAPT (0.61) MAPTHTTMERTKLMNAFGFR4
SCHEMBL16775766 0.91 MAPT (0.61) MAPTHTTMERTKFGFR4ALDH1A1
SCHEMBL16775771 0.91 MAPT (0.61) MAPTHTTMERTKFGFR4ALDH1A1
SCHEMBL16237528 0.89 MAPT (0.59) MAPTHTTMERTKLMNAFGFR4
SCHEMBL16237530 0.89 MAPT (0.59) MAPTHTTMERTKLMNAFGFR4
SCHEMBL17767926 0.86 MAPT (0.59) MAPTHTTMERTKLMNAFGFR4
SCHEMBL16775781 0.86 MAPT (0.61) MAPTHTTMERTKFGFR4ALDH1A1
SCHEMBL16250005 0.84 MAPT (0.62) MAPTHTTMERTKLMNAFGFR4

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-2024078448-A1 HPK1 KINASE INHIBITOR AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 珠海宇繁生物科技有限责任公司 2024-04-18 WO disclosed