SCHEMBL7649302

SCHEMBL7649302

CCCON=C(N)NOc1cc(C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCN(C(=O)OCC)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.46
PRSS2 P07478 2/20 0.46
F10 P00742 1/20 0.46
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Hydrochloric Acid SCHEMBL7650990 0.99 F2 (0.46) F2PRSS2F10MEN1MAPK1
Hydrochloric Acid SCHEMBL7650543 0.90 F2 (0.47) F2PRSS2F10
Hydrochloric Acid SCHEMBL6746007 0.90 F2 (0.49) F2PRSS2F10
Hydrochloric Acid SCHEMBL6745965 0.89 F2 (0.44) F2PRSS2F10
Hydrochloric Acid SCHEMBL7647598 0.89 F2 (0.47) F2PRSS2F10
SCHEMBL7859473 0.88 F2 (0.45) F2PRSS2F10
Hydrochloric Acid SCHEMBL7650554 0.87 F2 (0.45) F2PRSS2F10SMN1; SMN2LMNA
SCHEMBL7653398 0.86 F2 (0.46) F2PRSS2F10KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7647046 0.86 F2 (0.45) F2PRSS2F10MAPTALDH1A1
Hydrochloric Acid SCHEMBL7650074 0.85 F2 (0.46) F2PRSS2F10KMT2AALDH1A1

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 claimed