SCHEMBL2773787

SCHEMBL2773787

Cc1cccc([N+](=O)[O-])c1Nc1ccc(CC=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.42
CXCR2 P25025 1/20 0.41
TDP1 Q9NUW8 6/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
ALPG P10696 1/20 0.39
MAPK1 P28482 3/20 0.38
OPRK1 P41145 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP7 P55210 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL28799709 0.84 CXCR2 (0.47) KCNMA1SMN1; SMN2TSHRHSD17B10CXCR2
SCHEMBL3908318 0.84 CXCR2 (0.47) KCNMA1SMN1; SMN2TSHRHSD17B10CXCR2
SCHEMBL1624694 0.83 TSHR (0.45) KCNMA1SMN1; SMN2TSHRHSD17B10CXCR2
SCHEMBL11900645 0.81 CXCR2 (0.58) KCNMA1SMN1; SMN2TSHRHSD17B10CXCR2
SCHEMBL3911920 0.80 TSHR (0.49) KCNMA1SMN1; SMN2TSHRHSD17B10CXCR2
SCHEMBL31047229 0.80 TSHR (0.49) KCNMA1SMN1; SMN2TSHRHSD17B10CXCR2
SCHEMBL2772541 0.78 ALDH1A1 (0.67) SMN1; SMN2TSHRHSD17B10TDP1L3MBTL1
SCHEMBL2773784 0.77 MEN1 (0.49) KCNMA1SMN1; SMN2TSHRCXCR2TDP1
SCHEMBL7499979 0.75 MAPT (0.55) SMN1; SMN2TSHRHSD17B10CXCR2TDP1
SCHEMBL3045742 0.75 TSHR (0.56) KCNMA1SMN1; SMN2TSHRHSD17B10TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220062-A1 NEW HUMAN PAPILLOMA VIRUS INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Anaconda Pharma (FR) 2010-08-25 EP disclosed
WO-2009065893-A1 NEW HUMAN PAPILLOMA VIRUS INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ANACONDA PHARMA (FR) 2009-05-28 WO disclosed