SCHEMBL3378073

SCHEMBL3378073

CCN(O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 5/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL3380426 0.88 ALDH1A1 (0.47) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL27898136 0.84 MAPK1 (0.53) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL1913458 0.83 TSHR (0.51) ALDH1A1HPGDTSHRSMN1; SMN2GPR35
SCHEMBL8616788 0.81 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2MAPTLMNA
SCHEMBL305116 0.80 MAPT (0.61) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL8372593 0.75 ALDH1A1 (0.56) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL27598146 0.75 ALDH1A1 (0.51) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL10750890 0.75 ALDH1A1 (0.44) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL11140206 0.74 MAPK1 (0.50) MAPK1ALDH1A1HPGDTP53TSHR
SCHEMBL8318666 0.74 ALDH1A1 (0.63) MAPK1ALDH1A1HPGDTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429715-B1 HAIR COLOURING COMPOSITIONS BOOTS CO PLC (GB) 2010-11-24 EP claimed
US-7172632-B2 Hair coloring compositions THE BOOTS COMPANY, PLC (GB) 2007-02-06 US claimed
US-20050039269-A1 Hair colouring compositions BOOTS COMPANY PLC, THE (GB) 2005-02-24 US claimed
EP-1429715-A2 HAIR COLOURING COMPOSITIONS The Boots Company PLC (GB) 2004-06-23 EP claimed
WO-2003015734-A2 HAIR COLOURING COMPOSITIONS THE BOOTS COMPANY PLC (GB) 2003-02-27 WO claimed
EP-1429715-B1 HAIR COLOURING COMPOSITIONS BOOTS CO PLC (GB) 2010-11-24 EP disclosed
US-7172632-B2 Hair coloring compositions THE BOOTS COMPANY, PLC (GB) 2007-02-06 US disclosed
US-20050039269-A1 Hair colouring compositions BOOTS COMPANY PLC, THE (GB) 2005-02-24 US disclosed
EP-1429715-A2 HAIR COLOURING COMPOSITIONS The Boots Company PLC (GB) 2004-06-23 EP disclosed
WO-2003015734-A2 HAIR COLOURING COMPOSITIONS THE BOOTS COMPANY PLC (GB) 2003-02-27 WO disclosed