SCHEMBL28073068

SCHEMBL28073068

Cc1ncc(-c2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
PDGFRB P09619 3/20 0.42
PDGFRA P16234 3/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 2/20 0.38
RAB9A P51151 1/20 0.38
GRIN2B Q13224 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
ERN1 O75460 1/20 0.37
SOS1 Q07889 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL13825168 0.81 TDP1 (0.46) TDP1ATMPDGFRBPDGFRAMAPT
SCHEMBL1582196 0.81 MAP4K4 (0.49) TDP1ATMPDGFRBPDGFRAMAPT
SCHEMBL12528627 0.80 TDP1 (0.41) TDP1ATMMAPTALDH1A1LMNA
SCHEMBL13824897 0.78 TDP1 (0.42) TDP1ATMPDGFRBPDGFRAMAPT
SCHEMBL27686103 0.77 ERN1 (0.44) TDP1ATMPDGFRBPDGFRAMAPT
SCHEMBL20364812 0.77 ALDH1A1 (0.53) TDP1ATMMAPTALDH1A1LMNA
SCHEMBL28736511 0.76 MAP4K4 (0.40) TDP1ATMPDGFRBPDGFRAMAPT
SCHEMBL27686102 0.76 MAPT (0.39) TDP1ATMPDGFRBPDGFRAMAPT
SCHEMBL20242084 0.76 ERN1 (0.49) TDP1PDGFRBPDGFRAMAPTALDH1A1
SCHEMBL18376431 0.75 MAPT (0.45) TDP1ATMPDGFRBPDGFRAMAPT

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-103396359-B Iminipyridine derivatives and they purposes as microbicide 先正达参股股份有限公司 2016-06-29 CN disclosed