SCHEMBL31094763

SCHEMBL31094763

CC(=O)c1ccc([N+](=O)[O-])c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TSHR P16473 4/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ DTYMK P23919 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ USP10 Q14694 1/20 0.36
▸ USP7 Q93009 1/20 0.36
▸ USP47 Q96K76 1/20 0.36

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
SCHEMBL30957331 0.86 GPR35 (0.41) MAPTATMTDP1MAPK1TSHR
SCHEMBL31094807 0.84 TDP1 (0.42) MAPTATMTDP1MAPK1TSHR
SCHEMBL7859174 0.84 TSHR (0.53) MAPTTDP1TSHRCYP3A4SMN1; SMN2
SCHEMBL22070445 0.83 DTYMK (0.50) MAPTATMTDP1TSHRCYP3A4
SCHEMBL30957347 0.82 ABCB1 (0.40) MAPTTDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL22009916 0.81 SIRT6 (0.47) MAPTTDP1MAPK1TSHRCYP3A4
SCHEMBL18311461 0.79 TDP1 (0.56) MAPTATMTDP1MAPK1TSHR
SCHEMBL23273444 0.77 NPSR1 (0.36) MAPTATMTDP1TSHRCYP3A4
SCHEMBL29738072 0.77 ALDH1A1 (0.50) MAPTTSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL14577245 0.77 BCHE (0.47) MAPTTDP1MAPK1TSHRCYP3A4

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-2024208228-A1 NOVEL COMPOUNDS, COMPOSITIONS COMPRISING THE SAME AND USES THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-10-10 — — WO disclosed
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