SCHEMBL6584426

SCHEMBL6584426

CCCCCCOc1ccc2nc(S(=O)(=O)Cc3ccccc3)n(-c3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.44
CYP1A2 P05177 7/20 0.44
FGFR1 P11362 2/20 0.43
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.38
PTPN11 Q06124 1/20 0.38
PLA2G4B P0C869 1/20 0.38
PDE2A O00408 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5422345 0.88 PLA2G2A (0.43) PDE10ACYP1A2ALDH1A1TSHRPDE2A
SCHEMBL5410430 0.87 PDE3B (0.46) PDE10ACYP1A2PDE2A
SCHEMBL5415305 0.84 PLA2G2A (0.44) PDE2A
SCHEMBL5412443 0.82 PDE3B (0.43) PDE10ACYP1A2L3MBTL1PDE2A
SCHEMBL5419625 0.82 PDE3B (0.44) PDE10ACYP1A2FGFR1PLA2G4BPDE2A
SCHEMBL6585763 0.81 PDE2A (0.40) PDE10ACYP1A2FGFR1ALDH1A1TP53
SCHEMBL5417467 0.79 PDE3B (0.46) PDE10ACYP1A2FGFR1PDE2A
SCHEMBL5417150 0.78 CYP2C19 (0.45) ALDH1A1LMNAHPGDMAPT
SCHEMBL7717836 0.78 PDE10A (0.51) PDE10ACYP1A2FGFR1ALDH1A1LMNA
SCHEMBL6168820 0.74 PDE3B (0.45) PDE10ACYP1A2PDE2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404656-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-07 EP disclosed
WO-2003006438-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING MICROGLIA-ACTIVATION ASSOCIATED DISEASES SUCH AS INFLAMMATORY, ALLERGIC, INFECTIOUS OR AUTOIMMUNE DISEASES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-23 WO disclosed