SCHEMBL6584411

SCHEMBL6584411

CCCCCCOc1ccc2nc(Sc3ccccc3)n(-c3ccc(C)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.44
CYP1A2 P05177 6/20 0.44
FGFR1 P11362 1/20 0.41
AR P10275 5/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE2A O00408 3/20 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
SCHEMBL6369332 0.89 AR (0.48) ARTP53MEN1KMT2APDE2A
SCHEMBL6583694 0.86 LMNA (0.44) PDE10ACYP1A2ARMAPT
SCHEMBL5420228 0.86 AR (0.46) PDE10ACYP1A2ARTP53MAPT
SCHEMBL6583523 0.85 APLNR (0.47) PDE10ACYP1A2ARMEN1KMT2A
SCHEMBL6584270 0.80 PDE2A (0.44) PDE10ACYP1A2FGFR1TP53GAA
SCHEMBL6585534 0.78 PDE10A (0.43) PDE10ACYP1A2FGFR1TP53GAA
SCHEMBL6618378 0.78 CYP3A4 (0.44) PDE10ACYP1A2TP53GAAMAPT
SCHEMBL7717836 0.78 PDE10A (0.51) PDE10ACYP1A2FGFR1
SCHEMBL5414904 0.77 AR (0.50) ARTP53MEN1KMT2APDE2A
SCHEMBL7714523 0.76 PDE10A (0.48) PDE10ACYP1A2FGFR1MEN1KMT2A

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