SCHEMBL5498873

SCHEMBL5498873

COc1cc(NC(=O)N[C@@H](CO)C(=O)NCC(=O)NC(=O)c2ccc(NC(=N)N)cc2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.42
F7 P08709 5/20 0.40
F2 P00734 4/20 0.40
MAPT P10636 4/20 0.39
ATM Q13315 1/20 0.39
F10 P00742 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 2/20 0.38
FPR2 P25090 1/20 0.38

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 SCHEMBL6543157 0.99 SMO (0.41) SMOF7F2MAPTATM
SCHEMBL5500372 0.88 F2 (0.49) F7F2MAPTF10MEN1
Hydrochloric Acid SCHEMBL6544346 0.88 F2 (0.49) F7F2MAPTF10MEN1
SCHEMBL5497090 0.85 F7 (0.43) F7F2F10MEN1KMT2A
Hydrochloric Acid SCHEMBL6543197 0.85 F7 (0.42) F7F2F10MEN1KMT2A
SCHEMBL5500284 0.83 KMT2A (0.48) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5497144 0.82 F7 (0.42) F7F2MAPTF10MEN1
Hydrochloric Acid SCHEMBL6543677 0.82 KMT2A (0.47) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6544339 0.82 F7 (0.42) F7F2MAPTF10MEN1
SCHEMBL5493613 0.81 F7 (0.52) F7F2MAPTF10SMN1; SMN2

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