SCHEMBL31031196

SCHEMBL31031196

CC(=O)N[C@@H](CS)C(=O)OCCn1c([N+](=O)[O-])cnc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.61
ALDH1A1 P00352 4/20 0.55
MAPT P10636 1/20 0.55
EGFR P00533 9/20 0.52
ERBB2 P04626 9/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
THRB P10828 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
GUSB P08236 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ATM Q13315 1/20 0.51
CDC20 Q12834 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL677158 0.80 GLA (0.78) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL3777173 0.79 GLA (0.73) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL16151836 0.78 GLA (0.78) GLAALDH1A1MAPTEGFRERBB2
Bamnidazole SCHEMBL635607 0.77 GLA (1.00) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL9701605 0.77 GLA (0.76) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL5143254 0.77 GLA (0.76) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL9702321 0.77 GLA (0.68) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL11853645 0.76 GLA (0.71) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL9701341 0.76 GLA (0.71) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL9702324 0.76 GLA (0.71) GLAALDH1A1MAPTEGFRERBB2

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-2024134272-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF DERMAL AND OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2024-06-27 WO disclosed