SCHEMBL4701005

SCHEMBL4701005

CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1cc(C(=O)O)n(C)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 0.47
ATM Q13315 1/20 0.41
CSF1R P07333 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
SCHEMBL8538562 0.97 AR (0.45) ARATMCSF1R
SCHEMBL4703526 0.88 AR (0.39) ARATMCSF1R
SCHEMBL7645807 0.79 AR (0.33) ARATMCSF1R
SCHEMBL4701014 0.73 AR (0.51) ARATM
SCHEMBL8393115 0.70 AR (0.48) ARATM
SCHEMBL1662655 0.70 AR (0.51) AR
SCHEMBL1073975 0.70 ALDH1A1 (0.47) CSF1R
Hydrochloric Acid SCHEMBL6151019 0.69 AR (0.50) AR
SCHEMBL10693715 0.69 ATM (0.38) ATMCSF1R
SCHEMBL10690275 0.69 ATM (0.38) ATMCSF1R

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-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 WO disclosed