SCHEMBL6636052

SCHEMBL6636052

CCOC(=O)CN(c1ccc2nc(C(O)c3ccc(C(=N)N)cc3)n(C)c2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.43
USP2 O75604 2/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
F10 P00742 3/20 0.37
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NR1I2 O75469 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6633900 0.94 F2 (0.50) F2USP2MAPK1KMT2ALMNA
SCHEMBL6635939 0.87 HCRTR2 (0.43) USP2MAPK1KMT2ALMNAHTT
SCHEMBL6640824 0.84 F2 (0.54) F2KMT2ALMNAHTTSMN1; SMN2
SCHEMBL6635194 0.84 F2 (0.39) F2USP2MAPK1LMNAF10
SCHEMBL6636049 0.83 F2 (0.57) F2F10ITGB3ITGA2B
SCHEMBL6638619 0.81 HCRTR2 (0.43) USP2MAPK1KMT2ALMNAHTT
SCHEMBL6637043 0.79 F2 (0.44) F2F10HTTSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8029579 0.78 F2 (0.70) F2F10
SCHEMBL6634233 0.78 F2 (0.62) F2F10
SCHEMBL6633896 0.77 F2 (0.65) F2F10ITGB3ITGA2B

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-1100795-B1 DISUBSTITUTED BICYCLIC HETEROCYCLES HAVING, IN PARTICULAR, A THROMBIN INHIBITIVE EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2004-06-09 EP disclosed