SCHEMBL28699464

SCHEMBL28699464

N#Cc1cn(-c2ccc([N+](=O)[O-])c(O)c2)cn1.O=[N+]([O-])c1ccc(F)cc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SIRT6 Q8N6T7 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
CTSB P07858 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37
GPR35 Q9HC97 1/20 0.36
HTR2A P28223 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
SCHEMBL29447096 0.93 MAPT (0.44) MAPTSIRT6THRBPKMCTSB
SCHEMBL28703824 0.87 MAPT (0.39) MAPTSIRT6THRBPKMCTSB
SCHEMBL4908896 0.79 MAPT (0.46) MAPTCTSBKDM4EALDH1A1LMNA
SCHEMBL28661794 0.74 TDP1 (0.62) MAPTSIRT6THRBPKMCTSB
SCHEMBL29486360 0.73 TDP1 (0.64) MAPTSIRT6THRBPKMCTSB
SCHEMBL39862 0.73 TDP1 (0.64) MAPTSIRT6THRBPKMCTSB
SCHEMBL14722579 0.72 MAPT (0.52) MAPTSIRT6THRBPKMCTSB
SCHEMBL22323983 0.72 GRM5 (0.35) CYP3A4HSD17B10
SCHEMBL29447078 0.72 GRM5 (0.35) CYP3A4HSD17B10
SCHEMBL28107243 0.72 TDP1 (0.62) MAPTSIRT6THRBPKMCTSB

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-114126613-A Methods and compositions for modulating splicing 斯基霍克疗法公司 2022-03-01 CN disclosed