SCHEMBL6562050

SCHEMBL6562050

O=[N+]([O-])c1ccc(-n2cccc2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
TDP1 Q9NUW8 5/20 0.50
ALDH1A1 P00352 4/20 0.49
TSHR P16473 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
ALOX15 P16050 1/20 0.46
CXCR1 P25024 3/20 0.46
CXCR2 P25025 3/20 0.46
KCNMA1 Q12791 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ERN1 O75460 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
SCHEMBL2060780 0.86 ALDH1A1 (0.53) GPR35TDP1ALDH1A1TSHRHPGD
SCHEMBL6677996 0.81 GAA (0.57) GPR35TDP1ALDH1A1TSHRHPGD
SCHEMBL10913298 0.79 HSD17B10 (0.56) TDP1ALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL7838979 0.79 ALDH1A1 (0.55) TDP1ALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL7740419 0.79 ALDH1A1 (0.61) TDP1ALDH1A1SMN1; SMN2TP53GAA
SCHEMBL7740425 0.79 TDP1 (0.47) TDP1ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL29895481 0.78 RECQL (0.59) GPR35TDP1ALDH1A1HPGDMEN1
SCHEMBL4620082 0.78 RECQL (0.59) GPR35TDP1ALDH1A1HPGDMEN1
SCHEMBL27708625 0.77 GRIK1 (0.51) GPR35TDP1ALDH1A1TSHRHPGD
SCHEMBL1744862 0.76 ALDH1A1 (0.53) TDP1ALDH1A1TSHRMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304994-B1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-10-20 EP claimed
EP-1304994-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP claimed
WO-2002009661-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO claimed
EP-1304994-B1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-10-20 EP disclosed
EP-1304994-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP disclosed
WO-2002009661-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed
EP-1054889-A1 NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES Bayer Aktiengesellschaft (DE) 2000-11-29 EP disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed
US-4617316-A Insecticidal heteroaryl substituted phenyl benzoylureas FMC CORPORATION (US) 1986-10-14 US disclosed