SCHEMBL10985488

SCHEMBL10985488

C=C(C)CSc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
ATM Q13315 1/20 0.46
USP10 Q14694 1/20 0.41
USP7 Q93009 1/20 0.41
USP47 Q96K76 1/20 0.41
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 7/20 0.39
APEX1 P27695 2/20 0.39
PDE7A Q13946 1/20 0.39
POLB P06746 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CASP6 P55212 2/20 0.38
MCL1 Q07820 2/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
BLM P54132 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5748508 0.79 MAPT (0.53) TDP1ATMMAPTL3MBTL1MAPK1
SCHEMBL9603355 0.77 TDP1 (0.49) TDP1ATMUSP10USP7USP47
SCHEMBL1151368 0.75 ATM (0.58) TDP1ATMUSP10USP7USP47
SCHEMBL29662268 0.75 ATM (0.58) TDP1ATMUSP10USP7USP47
SCHEMBL27225074 0.72 GSTP1 (0.54) TDP1ATMMAPTMAPK1ALDH1A1
SCHEMBL3199054 0.72 ALDH1A1 (0.64) TDP1ATMMAPTL3MBTL1MAPK1
SCHEMBL14577163 0.72 ATM (0.55) TDP1ATMUSP10USP7USP47
SCHEMBL21183179 0.72 ALDH1A1 (0.36) MAPTL3MBTL1ALDH1A1POLBHPGD
SCHEMBL29380481 0.72 ATM (0.55) TDP1ATMUSP10USP7USP47
SCHEMBL21445773 0.71 ATM (0.53) TDP1ATMUSP10USP7USP47

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
US-4548640-A BROADLEAF WEEDS, SAFE FOR CROPS FMC CORPORATION (US) 1985-10-22 US disclosed