SCHEMBL7054871

SCHEMBL7054871

O=COC(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 6/20 0.42
EPHX1 P07099 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.36
CTSK P43235 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 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
SCHEMBL5594547 0.82 CPA1 (0.47) CPA1EPHX1ALDH1A1CYP1A2
SCHEMBL1588403 0.81 EPHX1 (0.40) CPA1EPHX1MEN1KMT2ATAAR1
SCHEMBL490895 0.79 CPA1 (0.45) CPA1TAAR1ALDH1A1
SCHEMBL5682403 0.77 CPA1 (0.47) CPA1ALDH1A1CYP1A2
SCHEMBL7054868 0.76 CPA1 (0.42) CPA1EPHX1ALDH1A1CYP1A2
SCHEMBL5659601 0.75 CPA1 (0.41) CPA1MEN1KMT2AALDH1A1
SCHEMBL3678022 0.74 TAAR1 (0.55) EPHX1MEN1KMT2ATAAR1CYP1A2
SCHEMBL18085416 0.74 EPHX1 (0.48) EPHX1MEN1KMT2ATAAR1CYP1A2
SCHEMBL28465583 0.73 CPA1 (0.47) CPA1MEN1KMT2ACYP1A2
SCHEMBL11847383 0.73 CPA1 (0.46) CPA1EPHX1MEN1KMT2ATAAR1

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-0759927-B1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES US GOV HEALTH & HUMAN SERV (US) 1998-06-24 EP claimed
EP-1305299-A1 CYCLIC POLYAMINE COMPOUNDS FOR CANCER THERAPY SLIL Biomedical Corporation (US) 2003-05-02 EP disclosed
WO-2002010142-A1 CYCLIC POLYAMINE COMPOUNDS FOR CANCER THERAPY SLIL BIOMEDICAL CORPORATION (US) 2002-02-07 WO disclosed