SCHEMBL6585763

SCHEMBL6585763

CCCCCCOc1ccc2nc(S(=O)(=O)CCC)n(-c3ccc(C)cc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.40
CYP1A2 P05177 3/20 0.39
PDE10A Q9Y233 3/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CACNA2D1 P54289 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL5422031 0.91 PDE3B (0.43) PDE2ACYP1A2PDE10A
SCHEMBL5414898 0.89 PDE3B (0.45) PDE2ACYP1A2PDE10AALDH1A1CYP2C9
SCHEMBL5414789 0.84 MAPT (0.43) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL5419625 0.82 PDE3B (0.44) PDE2ACYP1A2PDE10AFGFR1
SCHEMBL6584426 0.81 PDE10A (0.44) PDE2ACYP1A2PDE10ATP53ALDH1A1
SCHEMBL6584270 0.81 PDE2A (0.44) PDE2ACYP1A2PDE10ATP53CYP2C9
SCHEMBL5417467 0.80 PDE3B (0.46) PDE2ACYP1A2PDE10AFGFR1
SCHEMBL5415305 0.78 PLA2G2A (0.44) PDE2A
SCHEMBL6583523 0.77 APLNR (0.47) PDE2ACYP1A2PDE10AMEN1KMT2A
SCHEMBL6618378 0.77 CYP3A4 (0.44) PDE2ACYP1A2PDE10ATP53ALDH1A1

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