SCHEMBL5897709

SCHEMBL5897709

O=C(O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NCc4cccs4)cc3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 12/20 0.73
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 1/20 0.45

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
SCHEMBL1381233 0.92 CHEK2 (0.86) CHEK2POLB
SCHEMBL3569023 0.85 CHEK2 (0.72) CHEK2KMT2AALDH1A1
SCHEMBL3564516 0.84 CHEK2 (0.71) CHEK2MEN1MAPTKMT2ALMNA
SCHEMBL5177233 0.84 CHEK2 (0.68) CHEK2MEN1MAPTKMT2AUSP2
SCHEMBL5177529 0.83 CHEK2 (0.71) CHEK2KMT2ALMNAHTTALDH1A1
SCHEMBL10288218 0.79 POLB (0.63) CHEK2MEN1MAPTKMT2AUSP2
SCHEMBL1379810 0.78 CHEK2 (0.85) CHEK2
SCHEMBL3562464 0.75 CHEK2 (0.67) CHEK2MAPTKMT2ALMNAPOLB
SCHEMBL28930292 0.75 KDM4E (0.68) CHEK2KMT2ALMNANPC1ALDH1A1
SCHEMBL1378643 0.75 CHEK2 (0.85) 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