SCHEMBL5897429

SCHEMBL5897429

O=C(O)c1ccc2[nH]c(-c3ccc(C(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.70
NR4A2 P43354 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
RHEB Q15382 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
EGLN1 Q9GZT9 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
SCHEMBL1381456 0.91 CHEK2 (0.85) CHEK2
SCHEMBL3575929 0.87 CHEK2 (0.76) CHEK2KDM4EALDH1A1HPGDKMT2A
SCHEMBL3916733 0.87 CHEK2 (0.71) CHEK2EGLN1
SCHEMBL3564123 0.87 CHEK2 (0.66) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL3573596 0.86 CHEK2 (0.72) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL5177605 0.84 CHEK2 (0.68) CHEK2KMT2A
SCHEMBL3570845 0.83 CHEK2 (0.72) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL2319097 0.82 SCD (0.54) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL3560621 0.80 KDM4E (0.66) CHEK2NR4A2KDM4EALDH1A1HPGD
SCHEMBL28930292 0.80 KDM4E (0.68) CHEK2NR4A2KDM4EALDH1A1HPGD

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