SCHEMBL6203401

SCHEMBL6203401

CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]cc3-c3nc4ncccc4o3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
TP53 P04637 4/20 0.53
POLB P06746 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SIRT1 Q96EB6 4/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
P2RX3 P56373 1/20 0.47

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
SCHEMBL6087376 0.83 PTGS2 (0.51) MAPTTP53POLBRXFP1NPSR1
SCHEMBL6201851 0.79 RAB9A (0.54) MAPTTP53POLBRXFP1SMN1; SMN2
SCHEMBL6201345 0.77 RAB9A (0.60) MAPTTP53POLBRXFP1GAA
SCHEMBL6203431 0.75 GAA (0.60) MAPTTP53POLBRXFP1GAA
SCHEMBL6084412 0.75 MAPT (0.71) MAPTTP53POLBRXFP1GAA
SCHEMBL6204331 0.74 RAB9A (0.59) MAPTTP53POLBRXFP1SMN1; SMN2
SCHEMBL23657588 0.74 MAPT (0.84) MAPTTP53POLBRXFP1GAA
SCHEMBL6086017 0.74 ALDH1A1 (0.58) MAPTTP53POLBRXFP1GAA
SCHEMBL6204336 0.74 RAB9A (0.55) MAPTTP53POLBRXFP1SMN1; SMN2
SCHEMBL6201586 0.73 GLA (0.53) MAPTTP53POLBGAASMN1; SMN2

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-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed