SCHEMBL1746864

SCHEMBL1746864

O=[N+]([O-])c1[c]cccc1-c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.37
HPGD P15428 4/20 0.37
MAPT P10636 6/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2A6 P11509 1/20 0.35
PTPRC P08575 1/20 0.35
HTT P42858 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 3/20 0.35
NLRP3 Q96P20 1/20 0.35
DPP4 P27487 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL1179476 0.83 HPGD (0.38) HPGDMAPTKMT2ASMN1; SMN2HTT
SCHEMBL6195273 0.81 ALDH1A1 (0.52) HPGDKMT2AMEN1PTPRCALDH1A1
SCHEMBL11399787 0.79 C1R (0.35) KMT2AMEN1PTPRCALDH1A1LMNA
SCHEMBL6193168 0.79 NPC1 (0.37) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL8550679 0.79 S100A4 (0.33) MAPTKMT2AMEN1PTPRCHTT
SCHEMBL6194126 0.79 HSD17B10 (0.44) NPBWR1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL3535919 0.79 ALDH1A1 (0.53) HPGDMAPTKMT2AMEN1POLB
SCHEMBL6191701 0.78 PTGS2 (0.40) NPBWR1HPGDMAPTKMT2AMEN1
SCHEMBL6187312 0.78 HSD17B10 (0.42)
SCHEMBL2221801 0.77 HPGD (0.45) HPGDMAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP disclosed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US disclosed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 WO disclosed
EP-0008540-B1 2-ARYL-1,3-INDANDIONE DERIVATIVES AND COMPOSITIONS COMPRISING THEM FOR CONTROLLING ECTOPARASITIC ACARINA UNION CARBIDE CORPORATION (US) 1984-10-24 EP disclosed
EP-0011048-B1 A PROCESS FOR THE MANUFACTURE OF SUBSTANTIALLY PURE 3-AMINO-4-ALKOXY-ACYLANILIDES FROM 2,4-DINITROCHLOROBENZENE Toms River Chemical Corporation (US) 1982-01-27 EP disclosed