SCHEMBL10011040

SCHEMBL10011040

Oc1ccc(Nc2ccccc2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
CXCR2 P25025 7/20 0.54
CXCR1 P25024 2/20 0.49
ALOX5 P09917 1/20 0.47
BRAF P15056 2/20 0.46
DDX3X O00571 1/20 0.44
CHEK1 O14757 1/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL29773126 0.83 TSHR (0.55) CYP3A4TSHRCXCR2ALOX5BRAF
SCHEMBL8834026 0.82 BRAF (0.72) CYP3A4CXCR2CXCR1BRAFCHEK1
SCHEMBL4707292 0.80 CXCR2 (0.73) CXCR2CXCR1GAAMEN1KMT2A
SCHEMBL7003152 0.80 GAA (0.60) CYP3A4TSHRCXCR2BRAFGAA
SCHEMBL28032578 0.80 GAA (0.62) CYP3A4TSHRBRAFGAAALDH1A1
SCHEMBL31047645 0.80 CXCR2 (0.73) CXCR2CXCR1GAAMEN1KMT2A
SCHEMBL7003540 0.80 ALDH1A1 (0.65) CYP3A4TSHRCXCR2BRAFGAA
SCHEMBL7169368 0.80 CYP3A4 (0.52) CYP3A4TSHRBRAFGAAALDH1A1
SCHEMBL9443917 0.80 ALDH1A1 (0.65) CYP3A4TSHRCXCR2CXCR1GAA
SCHEMBL29720861 0.78 CXCR2 (0.68) CYP3A4TSHRCXCR2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4494953-A 2,4-Dihydroxydiphenylamines and hair dyeing compositions and method L'OREAL (FR) 1985-01-22 US claimed
US-4263213-A 2,4-Dihydroxy-4'-(substituted amino)-diphenylamines L'OREAL (FR) 1981-04-21 US claimed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-4737438-A Negative-working photosensitive composition comprising a diphenylamine-melamine condensate and an azide compound TOKYO OHKA KOGYO CO., LTD. (JP) 1988-04-12 US disclosed
US-4494953-A 2,4-Dihydroxydiphenylamines and hair dyeing compositions and method L'OREAL (FR) 1985-01-22 US disclosed
US-4494953-A 2,4-Dihydroxydiphenylamines and hair dyeing compositions and method L'OREAL (FR) 1985-01-22 US disclosed
US-4263213-A 2,4-Dihydroxy-4'-(substituted amino)-diphenylamines L'OREAL (FR) 1981-04-21 US disclosed