SCHEMBL5897567

SCHEMBL5897567

O=C(O)c1ccc2[nH]c(-c3ccc(C(O)c4ccc5ccccc5c4)cc3)nc2c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 15/20 0.69
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
KMT2A Q03164 1/20 0.54
MLKL Q8NB16 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NR4A2 P43354 1/20 0.48

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
SCHEMBL3573429 0.92 CHEK2 (0.67) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL1379997 0.90 CHEK2 (0.84) CHEK2
SCHEMBL4243591 0.86 CHEK2 (0.63) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3568045 0.85 CHEK2 (0.67) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3564159 0.85 CHEK2 (0.67) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3579641 0.84 CHEK2 (0.69) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3566948 0.84 CHEK2 (0.69) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3565186 0.84 CHEK2 (0.69) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL5898189 0.84 CHEK2 (0.66) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL1383372 0.83 CHEK2 (0.83) 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
US-7132440-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-07 US disclosed