SCHEMBL6829758

SCHEMBL6829758

CCS(=O)(=O)Oc1ccc(Cl)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.37
ALPL P05186 2/20 0.35
ALPI P09923 2/20 0.35
GSR P00390 2/20 0.35
TXNRD1 Q16881 2/20 0.35
S1PR4 O95977 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
STS P08842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28649069 0.81 TXNRD1 (0.42) NFE2L2ALPLALPITXNRD1S1PR4
SCHEMBL6826700 0.78 ALDH1A1 (0.39) S1PR4ALDH1A1LMNAHTTKMT2A
SCHEMBL28644545 0.74 NFE2L2 (0.42) NFE2L2LMNA
SCHEMBL16094497 0.73 ALDH1A1 (0.41) S1PR4TSHRMAPTALDH1A1
SCHEMBL28737017 0.72 GSR (0.33) ALPLALPIGSRTXNRD1MAPT
SCHEMBL5431429 0.70 ALDH1A1 (0.44) NFE2L2S1PR4MAPTCA2CA12
SCHEMBL10582499 0.68 NFE2L2 (0.45) NFE2L2MAPTALDH1A1LMNAKMT2A
SCHEMBL28552196 0.68 ALPI (0.40) ALPLALPICA2CA12ALDH1A1
SCHEMBL27716170 0.68 MAPT (0.46) ALPLALPIMAPTALDH1A1
SCHEMBL27826373 0.67 CFD (0.44) TSHRMAPTCA12ALDH1A1LMNA

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
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed