SCHEMBL30871305

SCHEMBL30871305

CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
VCAM1 P19320 1/20 0.63
POLB P06746 1/20 0.62
AGTR1 P30556 1/20 0.61
ALDH3A1 P30838 3/20 0.60
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL6117960 1.00 ALDH1A1 (0.67) ALDH1A1VCAM1POLBAGTR1ALDH3A1
SCHEMBL6912644 0.84 VCAM1 (0.58) ALDH1A1VCAM1POLBAGTR1ALDH3A1
SCHEMBL12067872 0.82 VCAM1 (0.57) ALDH1A1VCAM1POLBAGTR1ALDH3A1
SCHEMBL13980532 0.82 ALDH1A1 (0.59) ALDH1A1POLBAGTR1MEN1KMT2A
SCHEMBL12067917 0.81 VCAM1 (0.56) ALDH1A1VCAM1POLBAGTR1ALDH3A1
SCHEMBL4897543 0.81 ALDH1A1 (0.58) ALDH1A1POLBAGTR1MEN1KMT2A
SCHEMBL1186309 0.81 CA12 (0.60) ALDH1A1VCAM1POLBAGTR1MEN1
SCHEMBL11244365 0.81 ALDH1A1 (0.58) ALDH1A1POLBAGTR1MEN1KMT2A
SCHEMBL6342525 0.80 ALDH1A1 (0.68) ALDH1A1POLBAGTR1MEN1KMT2A
SCHEMBL9986571 0.80 VCAM1 (0.51) ALDH1A1VCAM1POLBAGTR1ALDH3A1

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-4605392-A1 METHODS FOR TREATING CANCER Antares Therapeutics, Inc. (US) 2025-08-27 EP disclosed
WO-2024086809-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed