SCHEMBL4667769

SCHEMBL4667769

O=C1OC(=O)Oc2cc([N+](=O)[O-])cc3cccc(c23)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
FTO Q9C0B1 2/20 0.39
PABPC1 P11940 2/20 0.39
LMNA P02545 1/20 0.39
NTRK1 P04629 1/20 0.39
NGFR P08138 1/20 0.39
POLB P06746 4/20 0.39
CASP6 P55212 1/20 0.39
TYMS P04818 5/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR1 P21453 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
SCHEMBL9272402 0.87 CYP19A1 (0.39) TSHRTDP1MEN1KMT2ALMNA
SCHEMBL299850 0.76 TYMS (0.59) TSHRMEN1KMT2APABPC1POLB
SCHEMBL10788183 0.73 TSHR (0.58) TSHRTDP1MEN1KMT2AFTO
SCHEMBL29903867 0.73 TSHR (0.58) TSHRTDP1MEN1KMT2AFTO
SCHEMBL1565380 0.72 TYMS (0.61) TDP1MEN1KMT2AFTOPABPC1
SCHEMBL29532369 0.72 TYMS (0.61) TDP1MEN1KMT2AFTOPABPC1
SCHEMBL4666425 0.69 ALDH1A1 (0.49) TDP1MEN1KMT2APABPC1LMNA
SCHEMBL1826053 0.68 TDP1 (0.62) TSHRTDP1MEN1KMT2ALMNA
SCHEMBL30738237 0.68 TDP1 (0.62) TSHRTDP1MEN1KMT2AFTO
SCHEMBL30503606 0.68 TDP1 (0.62) TSHRTDP1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729723-B1 NEUTRAL AND CATIONIC NAPHTHALENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS FOR DYEING KERATIN FIBERS WELLA AG (DE) 2008-06-04 EP disclosed
EP-1729723-A1 NEUTRAL AND CATIONIC NAPHTHALENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS FOR DYEING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2006-12-13 EP disclosed
EP-1720513-A1 LIGHTENING DIRECT DYESTUFFS FOR KERATIN FIBERS AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2006-11-15 EP disclosed
WO-2005074872-A1 LIGHTENING DIRECT DYESTUFFS FOR KERATIN FIBERS AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
WO-2005075574-A1 NEUTRAL AND CATIONIC NAPHTHALENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS FOR DYEING KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed