SCHEMBL4440925

SCHEMBL4440925

CCC(C)(C(N)=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
CTSD P07339 1/20 0.43
PLAU P00749 1/20 0.41
KMT2A Q03164 3/20 0.40
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1822592 0.82 NPSR1 (0.47) NPSR1ALDH1A1HTTKMT2AF2
SCHEMBL29931026 0.81 NPSR1 (0.58) NPSR1ALDH1A1HTTCTSDPLAU
SCHEMBL1695081 0.81 NPSR1 (0.58) NPSR1ALDH1A1HTTCTSDPLAU
SCHEMBL22204543 0.78 NPSR1 (0.51) NPSR1ALDH1A1HTTCTSDKMT2A
SCHEMBL19222047 0.77 NPSR1 (0.53) NPSR1ALDH1A1HTTKMT2AMEN1
SCHEMBL14524137 0.77 NPSR1 (0.53) NPSR1ALDH1A1HTTKMT2AMEN1
SCHEMBL7176676 0.76 MAPT (0.46) NPSR1ALDH1A1HTTKMT2AMEN1
SCHEMBL27904894 0.76 NPSR1 (0.47) NPSR1ALDH1A1HTTCTSDKMT2A
SCHEMBL30408992 0.74 NPSR1 (0.55) NPSR1ALDH1A1HTTCTSDKMT2A
SCHEMBL27797941 0.74 NPSR1 (0.48) NPSR1ALDH1A1HTTKMT2ATP53

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-2009148961-A2 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-12-10 WO disclosed