SCHEMBL5252182

SCHEMBL5252182

NC(=O)Oc1ccc2nc(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)nc3)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 18/20 0.57
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
KDR P35968 1/20 0.45
DGAT1 O75907 1/20 0.44
SOAT1 P35610 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5248602 0.91 CHEK2 (0.58) CHEK2
SCHEMBL3915829 0.86 CHEK2 (0.76) CHEK2MEN1THRBKMT2A
SCHEMBL5250698 0.85 CHEK2 (0.58) CHEK2MEN1THRBKMT2AKDR
SCHEMBL5252823 0.84 CHEK2 (0.57) CHEK2MEN1THRBKMT2ADGAT1
SCHEMBL5248310 0.82 CHEK2 (0.61) CHEK2MEN1THRBKMT2AKDR
SCHEMBL5252672 0.80 CHEK2 (0.66) CHEK2MEN1THRBKMT2A
SCHEMBL3916642 0.78 CHEK2 (0.77) CHEK2
SCHEMBL3928053 0.75 CHEK2 (0.77) CHEK2MEN1THRBKMT2A
SCHEMBL5298124 0.73 CHEK2 (0.65) CHEK2MEN1THRBKMT2ADGAT1
SCHEMBL5251652 0.73 CHEK2 (0.67) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435947-B1 2-PHENYL BENZIMIDAZOLES AND IMIDAZO-¬4,5|-PYRIDINES AS CDS1/CHK2-INHIBITORS AND ADJUVANTS TO CHEMOTHERAPY OR RADIATION THERAPY IN THE TREATMENT OF CANCER ORTHO MCNEIL PHARM INC (US) 2007-08-15 EP claimed