SCHEMBL31056308

SCHEMBL31056308

COc1ccc([N+](=O)[O-])c(N)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 18/20 0.56
S1PR4 O95977 2/20 0.52
MAPT P10636 2/20 0.52
S1PR1 P21453 2/20 0.52
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
RAB9A P51151 1/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
JAK2 O60674 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HTT P42858 1/20 0.51
GSR P00390 2/20 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
SCHEMBL336303 1.00 TXNRD1 (0.56) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL6027123 0.94 TXNRD1 (0.51) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL13657691 0.88 TXNRD1 (0.46) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL2411887 0.82 TDP1 (0.39) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL2302904 0.81 MAPT (0.53) TXNRD1MAPTMAPK1RAB9AGSR
SCHEMBL1428159 0.80 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL29830024 0.80 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL1848090 0.80 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL10740434 0.80 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL27175931 0.80 TXNRD1 (0.62) TXNRD1S1PR4MAPTS1PR1MAPK1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed