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Sugi Predict / Compounds / SCHEMBL5176033

SCHEMBL5176033

SCHEMBL5176033

CC(c1ccc(Cl)cc1)c1ccc(-c2nc3cc(OC(N)=O)ccc3[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 18/20 0.62
▸ MEN1 O00255 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL5176810 0.90 CHEK2 (0.62) CHEK2MEN1THRBKMT2A
SCHEMBL5251336 0.90 CHEK2 (0.58) CHEK2MEN1THRBKMT2A
SCHEMBL5255036 0.88 CHEK2 (0.65) CHEK2MEN1THRBKMT2A
SCHEMBL5178371 0.87 CHEK2 (0.48) CHEK2MEN1THRBKMT2A
SCHEMBL5178404 0.86 CHEK2 (0.63) CHEK2MEN1THRBKMT2A
SCHEMBL5179323 0.85 CHEK2 (0.51) CHEK2MEN1THRBKMT2ASIRT2
SCHEMBL5251825 0.85 CHEK2 (0.61) CHEK2MEN1THRBKMT2A
SCHEMBL5176765 0.85 CHEK2 (0.61) CHEK2MEN1THRBKMT2ASIRT2
SCHEMBL5177869 0.84 CHEK2 (0.46) CHEK2MEN1THRBKMT2ASIRT2
SCHEMBL5252311 0.84 CHEK2 (0.62) CHEK2MEN1THRBKMT2A

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-1613313-B1 2-PHENYL-BENZIMIDAZOL AND 2-PHENYL-IMIDAZO-4,5]-PYRIDINE DERIVATIVES AS CHECKPOINT KINASE CDS1 (CHK2) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2007-06-06 — — EP claimed
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