Sugi Predict

Sugi Predict / Compounds / SCHEMBL4701014

SCHEMBL4701014

SCHEMBL4701014

CN(C(=O)n1ccc([N+](=O)[O-])c1)c1cc(C(=O)O)n(C)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.51
▸ ATM Q13315 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8393115 0.97 AR (0.48) ARATMALDH1A1
SCHEMBL4703530 0.87 AR (0.40) ARATMALDH1A1
SCHEMBL7810273 0.74 AR (0.36) AR
Hydrochloric Acid SCHEMBL8391697 0.73 AR (0.36) AR
SCHEMBL4701005 0.73 AR (0.47) ARATM
SCHEMBL1662655 0.71 AR (0.51) ARALDH1A1
SCHEMBL8538562 0.70 AR (0.45) ARATM
Hydrochloric Acid SCHEMBL6151019 0.70 AR (0.50) ARALDH1A1
SCHEMBL7838764 0.68 SMN1; SMN2 (0.34) ATMALDH1A1
SCHEMBL6800421 0.68 TDP1 (0.44) ALDH1A1

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