SCHEMBL1126442

SCHEMBL1126442

CCc1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KAT2B Q92831 1/20 0.47
ALDH3A1 P30838 2/20 0.45
ERN1 O75460 5/20 0.41
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
ALPG P10696 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPBWR1 P48145 1/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 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
SCHEMBL7668707 0.86 MAPT (0.47) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL12196693 0.86 ALDH1A1 (0.46) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL27675236 0.84 ALDH1A1 (0.43) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL19193182 0.83 ALDH1A1 (0.48) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL16147601 0.83 TSHR (0.46) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL10478090 0.81 ALDH1A1 (0.43) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL28961928 0.80 TSHR (0.50) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL27759231 0.80 ALDH1A1 (0.41) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL10959235 0.80 TSHR (0.55) MAPTALDH1A1CYP3A4KAT2BKMT2A
SCHEMBL16011445 0.79 CYP1A2 (0.45) MAPTALDH1A1KDM4ECYP3A4ALOX15

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
EP-2284178-A2 Inhibitors of cancer cell, T-cell and keratinocyte proliferation 4SC AG (DE) 2011-02-16 EP disclosed