SCHEMBL6585534

SCHEMBL6585534

CCCCCCOc1ccc2nc([S+]([O-])c3ccccc3)n(-c3ccc(C)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.43
CYP1A2 P05177 6/20 0.43
FGFR1 P11362 2/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
PDE2A O00408 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
RAB9A P51151 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
SCHEMBL6369243 0.89 PPARG (0.44) PDE10ACYP1A2PDE2A
SCHEMBL5417434 0.87 PDE3B (0.44) PDE10ACYP1A2PDE2AACSS2
SCHEMBL6581776 0.85 CYP1A2 (0.39) PDE10ACYP1A2FGFR1TP53MAPT
SCHEMBL6584411 0.78 PDE10A (0.44) PDE10ACYP1A2FGFR1TP53MAPT
SCHEMBL6584270 0.78 PDE2A (0.44) PDE10ACYP1A2FGFR1TP53MAPT
SCHEMBL6377580 0.78 PDE3B (0.42) PDE10ACYP1A2PDE2A
SCHEMBL6583694 0.77 LMNA (0.44) PDE10ACYP1A2MAPTSMN1; SMN2ALDH1A1
SCHEMBL5420162 0.77 PPARG (0.43) TP53PDE2A
SCHEMBL7717836 0.76 PDE10A (0.51) PDE10ACYP1A2FGFR1SMN1; SMN2ALDH1A1
SCHEMBL6618378 0.75 CYP3A4 (0.44) PDE10ACYP1A2TP53MAPTGAA

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