SCHEMBL5503744

SCHEMBL5503744

N=C(N)Nc1ccc(C(=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)Nc2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
NAMPT P43490 2/20 0.41
ANPEP P15144 1/20 0.41
F7 P08709 9/20 0.40
F2 P00734 4/20 0.40
F10 P00742 2/20 0.40
CYP1A2 P05177 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KDM4E B2RXH2 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 SCHEMBL6543814 0.99 HDAC1 (0.43) HDAC1NAMPTANPEPF7F2
SCHEMBL5497155 0.93 MEN1 (0.40) HDAC1F7F2F10CYP1A2
Hydrochloric Acid SCHEMBL6543212 0.92 MEN1 (0.39) HDAC1F7F2F10CYP1A2
SCHEMBL5499918 0.89 ANPEP (0.41) HDAC1ANPEPF7F2F10
SCHEMBL5499064 0.88 POLB (0.44) ANPEPF7F2F10CYP1A2
Hydrochloric Acid SCHEMBL6543837 0.88 ANPEP (0.41) HDAC1ANPEPF7F2F10
Hydrochloric Acid SCHEMBL6544314 0.87 POLB (0.43) ANPEPF7F2F10CYP1A2
SCHEMBL5498018 0.85 F7 (0.46) HDAC1NAMPTF7F2F10
Hydrochloric Acid SCHEMBL6543529 0.85 F7 (0.46) HDAC1NAMPTF7F2F10
SCHEMBL5497090 0.85 F7 (0.43) 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