SCHEMBL5493828

SCHEMBL5493828

N=C(N)Nc1ccc(C(=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)Nc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.47
F7 P08709 9/20 0.42
F2 P00734 6/20 0.42
F10 P00742 1/20 0.42
CASR P41180 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MIF P14174 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CBS P35520 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MITF O75030 1/20 0.39
PAX8 Q06710 1/20 0.39

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 SCHEMBL6544343 0.99 HPSE (0.47) HPSEF7F2F10CASR
SCHEMBL5497144 0.93 F7 (0.42) F7F2F10NPC1RAB9A
Hydrochloric Acid SCHEMBL6544339 0.92 F7 (0.42) F7F2F10NPC1RAB9A
SCHEMBL5498018 0.89 F7 (0.46) F7F2F10NPC1RAB9A
SCHEMBL5500799 0.89 NPSR1 (0.51) F7F2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6543529 0.89 F7 (0.46) F7F2F10NPC1RAB9A
Hydrochloric Acid SCHEMBL6543172 0.88 NPSR1 (0.50) F7F2NPC1RAB9ASMN1; SMN2
SCHEMBL5497090 0.85 F7 (0.43) F7F2F10MEN1KMT2A
SCHEMBL5493613 0.85 F7 (0.52) F7F2F10SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6543197 0.84 F7 (0.42) F7F2F10MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453852-B1 SELECTIVE UROKINASE INHIBITORS WILEX AG (DE) 2007-01-17 EP disclosed
EP-1453852-A2 SELECTIVE UROKINASE INHIBITORS Wilex AG (DE) 2004-09-08 EP disclosed
WO-2003053999-A2 SELECTIVE ARYLGUANIDINE PEPTIDES AS UROKINASE INHIBITORS WILEX AG (DE) 2003-07-03 WO disclosed