SCHEMBL21445773

SCHEMBL21445773

O=C(O)Sc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ DTYMK P23919 1/20 0.45
▸ PDE7A Q13946 1/20 0.43
▸ CASP6 P55212 1/20 0.42
▸ USP10 Q14694 1/20 0.42
▸ USP7 Q93009 1/20 0.42
▸ USP47 Q96K76 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ TTR P02766 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ HSPB1 P04792 2/20 0.38
▸ IDO1 P14902 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
SCHEMBL21445740 0.80 PDE7A (0.54) TDP1DTYMKPDE7AMAPTTSHR
SCHEMBL21445778 0.80 TSHR (0.55) DTYMKCASP6MAPTTSHRLMNA
SCHEMBL1151368 0.77 ATM (0.58) ATMTDP1PDE7AUSP10USP7
SCHEMBL29662268 0.77 ATM (0.58) ATMTDP1PDE7AUSP10USP7
SCHEMBL21444940 0.76 AKR1C3 (0.49) MAPTLMNAALDH1A1
SCHEMBL1567751 0.75 PDE7A (0.56) ATMTDP1PDE7AUSP47MAPT
SCHEMBL21444974 0.75 MAPT (0.54) TDP1PDE7AMAPTLMNAHTT
SCHEMBL357813 0.74 DTYMK (0.62) ATMTDP1DTYMKCASP6TTR
SCHEMBL2061399 0.73 ATM (0.58) ATMTDP1PDE7AUSP10USP7
SCHEMBL28438281 0.72 DTYMK (0.60) ATMTDP1DTYMKCASP6TTR

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-2019193068-A1 A PROCESS FOR THE SYNTHESIS OF CARBON LABELED ORGANIC COMPOUNDS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2019-10-10 — — WO disclosed
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