SCHEMBL6948276

SCHEMBL6948276

COc1cc(C#N)c(N)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
MAPK1 P28482 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
G6PD P11413 1/20 0.59
PKM P14618 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59
XDH P47989 1/20 0.45
VCAM1 P19320 2/20 0.41
ALDH1A1 P00352 5/20 0.39
HTT P42858 4/20 0.39
GRIA1 P42261 2/20 0.39
GRIA2 P42262 2/20 0.39
GRIA3 P42263 2/20 0.39
GRIA4 P48058 2/20 0.39
GRM6 O15303 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6639064 0.83 MAPT (0.74) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL9581525 0.81 XDH (0.42) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL9581353 0.81 XDH (0.42) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL667904 0.79 ALDH1A1 (0.47) MAPTKDM4EMEN1KMT2ANPSR1
SCHEMBL7404009 0.79 XDH (0.53) MAPTKDM4EMEN1KMT2AXDH
SCHEMBL11377025 0.78 MAPT (0.68) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL4614355 0.78 MAPT (0.50) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL416580 0.78 MAPT (0.68) MAPTMAPK1KDM4EMEN1G6PD
SCHEMBL404515 0.78 ALDH1A1 (0.48) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL2258930 0.78 VCAM1 (0.58) MAPTMAPK1KDM4EMEN1G6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed