SCHEMBL29662268

SCHEMBL29662268

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ PDE7A Q13946 3/20 0.46
▸ USP10 Q14694 1/20 0.42
▸ USP7 Q93009 1/20 0.42
▸ USP47 Q96K76 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HSPB1 P04792 3/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38
▸ VCAM1 P19320 1/20 0.37
▸ TTR P02766 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
SCHEMBL1151368 1.00 ATM (0.58) ATMTDP1PDE7AUSP10USP7
SCHEMBL3874156 0.85 PDE7A (0.58) ATMTDP1PDE7AUSP10USP7
SCHEMBL20150186 0.81 TSHR (0.64) TDP1TSHRCYP3A4IDO1ALDH1A1
SCHEMBL2061399 0.81 ATM (0.58) ATMTDP1PDE7AUSP10USP7
SCHEMBL2545546 0.78 MAPK1 (0.58) TDP1PDE7ATSHRALDH1A1MAPT
SCHEMBL2935849 0.78 BACE1 (0.45) TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL29662266 0.78 BACE1 (0.45) TSHRCYP3A4ALDH1A1MAPK1
SCHEMBL8446725 0.78 TSHR (0.58) TDP1PDE7ATSHRCYP3A4ALDH1A1
SCHEMBL5423544 0.78 PDE7A (0.42) ATMTDP1PDE7ATSHRCYP3A4
SCHEMBL21445773 0.77 ATM (0.53) ATMTDP1PDE7AUSP10USP7

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
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 — — EP disclosed
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