SCHEMBL4599148

SCHEMBL4599148

O=[N+]([O-])c1cc[c]c(NCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 2/20 0.52
PTPRF P10586 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
EGFR P00533 1/20 0.48
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4600195 0.86 POLB (0.56) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL4600239 0.82 KMT2A (0.60) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4599560 0.78 MAPT (0.50) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL27534315 0.75 CYP19A1 (0.46) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL4599766 0.75 MAPT (0.41) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL3722491 0.74 RIPK1 (0.45) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL5605070 0.74 PTPRF (0.69) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL9395627 0.73 MAPT (0.70) MAPTMEN1KMT2ACRHBPCRHR2
SCHEMBL4603282 0.73 PKM (0.42) MAPTMEN1KMT2ASMN1; SMN2EGFR
SCHEMBL4599182 0.73 HTT (0.43) KMT2ASMN1; SMN2HTTPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed