SCHEMBL7653398

SCHEMBL7653398

CCCON=C(N)NOc1cc(C)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N2CCN(c3ncccn3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.46
PRSS2 P07478 2/20 0.42
F10 P00742 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 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 SCHEMBL7650074 0.99 F2 (0.46) F2PRSS2F10ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL7647673 0.92 F2 (0.44) F2PRSS2F10ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7650554 0.89 F2 (0.45) F2PRSS2F10SMN1; SMN2
Hydrochloric Acid SCHEMBL6746007 0.88 F2 (0.49) F2PRSS2F10
Hydrochloric Acid SCHEMBL7650543 0.88 F2 (0.47) F2PRSS2F10
Hydrochloric Acid SCHEMBL7647598 0.87 F2 (0.47) F2PRSS2F10
SCHEMBL7651002 0.86 F2 (0.49) F2ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7649302 0.86 F2 (0.46) F2PRSS2F10ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7651597 0.86 F2 (0.48) F2ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL7859473 0.85 F2 (0.45) F2PRSS2F10

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