SCHEMBL9100356

SCHEMBL9100356

O=[N+]([O-])c1ccccc1C1OC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GPR35 Q9HC97 1/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CUL4A Q13619 1/20 0.41
DNMT3B Q9UBC3 4/20 0.40
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP7 P55210 1/20 0.40
KDM1A O60341 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
SCHEMBL9100348 1.00 TDP1 (0.43) TDP1ALDH1A1GPR35KMT2AL3MBTL1
SCHEMBL11451918 0.91 GPR35 (0.50) TDP1ALDH1A1GPR35KMT2AL3MBTL1
SCHEMBL11451916 0.91 GPR35 (0.50) TDP1ALDH1A1GPR35KMT2AL3MBTL1
SCHEMBL11410883 0.78 GPR35 (0.45) TDP1ALDH1A1GPR35KMT2AL3MBTL1
SCHEMBL16795798 0.78 DNMT3B (0.40) TDP1ALDH1A1GPR35KMT2AL3MBTL1
SCHEMBL16796701 0.78 DNMT3B (0.40) TDP1ALDH1A1GPR35KMT2AL3MBTL1
SCHEMBL20537449 0.78 DNMT3B (0.40) TDP1ALDH1A1GPR35KMT2AL3MBTL1
SCHEMBL20537647 0.78 DNMT3B (0.40) TDP1ALDH1A1GPR35KMT2AL3MBTL1
SCHEMBL15550765 0.76 DNMT3B (0.38) TDP1ALDH1A1GPR35KMT2AL3MBTL1
SCHEMBL18802935 0.76 DNMT3B (0.38) TDP1ALDH1A1GPR35KMT2AL3MBTL1

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
US-9316593-B2 Retroreflectors for remote detection MASSACHUSETTS INSTITUTES OF TECHNOLOGY (US) 2016-04-19 US disclosed
WO-2012078324-A2 RETROREFLECTORS FOR REMOTE DETECTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 WO disclosed
US-20120140224-A1 RETROREFLECTORS FOR REMOTE DETECTION MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-06-07 US disclosed