SCHEMBL15978635

SCHEMBL15978635

Cc1cc(=O)nc(NC(=O)NCCCCCN)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.39
EPHX1 P07099 8/20 0.36
ABL1 P00519 2/20 0.35
CDK2 P24941 2/20 0.35
EPHX2 P34913 2/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
CHUK O15111 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PAK4 O96013 1/20 0.35
CHEK2 O96017 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MARK3 P27448 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL522870 1.00 PAOX (0.39) PAOXEPHX1ABL1CDK2EPHX2
SCHEMBL27047920 0.99 PAOX (0.38) PAOXEPHX1ABL1CDK2EPHX2
SCHEMBL1569353 0.99 PAOX (0.36) PAOXEPHX1ABL1CDK2EPHX2
Hydrochloric Acid SCHEMBL27090099 0.98 PAOX (0.37) PAOXEPHX1ABL1CDK2EPHX2
Hydrochloric Acid SCHEMBL14486716 0.97 PAOX (0.36) PAOXEPHX1ABL1METHRH2
SCHEMBL22590659 0.95 KDM4E (0.38) ABL1METFLT3HTT
Trifluoroacetic Acid SCHEMBL27090085 0.91 HRH4 (0.41) PAOXEPHX1HRH2ALDH1A1HTT
SCHEMBL27992820 0.89 EPHX1 (0.37) EPHX1ABL1CDK2EPHX2CHEK1
SCHEMBL12462484 0.89 EPHX1 (0.47) EPHX1EPHX2ALDH1A1HTT
SCHEMBL13126267 0.89 EPHX1 (0.47) EPHX1EPHX2ALDH1A1HTT

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
WO-2014128426-A1 SUPRAMOLECULAR MATERIALS MADE OF OLIGOAMIDES ARKEMA FRANCE (FR) 2014-08-28 WO disclosed