SCHEMBL6555028

SCHEMBL6555028

CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 1/20 0.56
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
CA2 P00918 1/20 0.49
KLK5 Q9Y337 1/20 0.47
KLK7 P49862 1/20 0.47
HDAC4 P56524 3/20 0.46
MEF2D Q14814 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
HDAC1 Q13547 2/20 0.45
EPHX2 P34913 1/20 0.45
RAB9A P51151 1/20 0.45
BACE1 P56817 3/20 0.45
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7939509 0.88 HDAC4 (0.48) KDM4EALDH1A1MAPTCTSSCTSK
SCHEMBL7939513 0.88 HDAC4 (0.48) KDM4EALDH1A1MAPTCTSSCTSK
SCHEMBL26436560 0.84 LMNA (0.48) KDM4EALDH1A1CTSSCTSKHDAC4
SCHEMBL23975809 0.83 CTSS (0.61) KDM4EALDH1A1MAPTCTSSCTSK
SCHEMBL7414154 0.83 CTSS (0.61) KDM4EALDH1A1MAPTCTSSCTSK
SCHEMBL7414151 0.83 CTSS (0.61) KDM4EALDH1A1MAPTCTSSCTSK
SCHEMBL6892615 0.82 CTSS (0.61) CTSSCTSK
SCHEMBL8211819 0.82 KDM4E (0.53) KDM4EALDH1A1MAPTCTSSCTSK
SCHEMBL8213215 0.80 ALDH1A1 (0.52) KDM4EALDH1A1MAPTCTSSCTSK
SCHEMBL6556874 0.79 CTSS (0.54) KDM4EALDH1A1MAPTCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797447-B1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES UNIV ARIZONA (US) 2004-03-03 EP disclosed
EP-0797447-A4 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES UNIV ARIZONA (US) 1999-09-29 EP disclosed
EP-0797447-A1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES ARIZONA BOARD OF REGENTS (US) 1997-10-01 EP disclosed
US-5663149-A ANTICARCINOGENIC AGENTS RELATED TO DOLASTATIN ARIZONA BOARD OF REGENTS ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1997-09-02 US disclosed
WO-1996018408-A1 HUMAN CANCER INHIBITORY PENTAPEPTIDE HETEROCYCLIC AND HALOPHENYL AMIDES ARIZONA BOARD OF REGENTS (US) 1996-06-20 WO disclosed