SCHEMBL30954094

SCHEMBL30954094

COc1cc(OC)c([N+](=O)[O-])cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HSPB1 P04792 3/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43

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
SCHEMBL6371735 1.00 ALDH1A1 (0.48) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL31757016 0.92 ALDH1A1 (0.51) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL517768 0.90 ALDH1A1 (0.50) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL29661436 0.90 ALDH1A1 (0.50) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL25427390 0.90 ALDH1A1 (0.53) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL4279356 0.89 ALDH1A1 (0.48) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL30230904 0.89 ALDH1A1 (0.48) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL30977519 0.87 TDP1 (0.44) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL6370055 0.86 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ECYP3A4MAPT
SCHEMBL6117320 0.85 ALDH1A1 (0.46) ALDH1A1TDP1KDM4ECYP3A4MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630412-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2025-10-15 EP disclosed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed