SCHEMBL7649155

SCHEMBL7649155

CCCON1C(=O)c2cccc(Oc3cc(C)cc(OS(=O)(=O)c4ccccc4S(=O)(=O)N4CCN(C)CC4)c3)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 15/20 0.36
PRSS2 P07478 3/20 0.36
F10 P00742 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CTRC Q99895 1/20 0.34
PDE5A O76074 1/20 0.33

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
SCHEMBL6925569 0.90 ALDH1A1 (0.41) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL6926975 0.88 F2 (0.37) F2PRSS2F10ALDH1A1CTRC
SCHEMBL6930340 0.82 TSHR (0.45) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL6754993 0.81 F2 (0.48) F2PRSS2F10CTRC
SCHEMBL6747717 0.79 SMN1; SMN2 (0.37) SMN1; SMN2F2PRSS2ALDH1A1CTRC
SCHEMBL7649160 0.75 MEN1 (0.46) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL6749285 0.74 F2 (0.43) MEN1KMT2AF2PRSS2F10
SCHEMBL6749785 0.73 F2 (0.47) MEN1KMT2ATSHRMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL7650543 0.72 F2 (0.47) F2PRSS2F10CTRC
SCHEMBL6747809 0.71 F2 (0.52) F2PRSS2F10CTRC

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-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed