SCHEMBL6583523

SCHEMBL6583523

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.47
AR P10275 7/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE7A Q13946 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
CYP1A2 P05177 1/20 0.40
PDE10A Q9Y233 1/20 0.40
PDE2A O00408 3/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL5414904 0.89 AR (0.50) APLNRARMEN1KMT2APDE2A
SCHEMBL5407528 0.88 AR (0.49) APLNRARMEN1KMT2APDE2A
SCHEMBL6583694 0.87 LMNA (0.44) ARCYP1A2PDE10A
SCHEMBL6584411 0.85 PDE10A (0.44) ARMEN1KMT2ACYP1A2PDE10A
SCHEMBL5420226 0.83 KDM4E (0.46) APLNRARMEN1KMT2A
SCHEMBL6584270 0.82 PDE2A (0.44) CYP1A2PDE10APDE2A
SCHEMBL5412668 0.81 MEN1 (0.54) APLNRARMEN1KMT2APDE2A
SCHEMBL6618378 0.79 CYP3A4 (0.44) CYP1A2PDE10APDE2A
SCHEMBL5410441 0.79 MEN1 (0.47) APLNRARMEN1KMT2APDE2A
SCHEMBL7719001 0.78 CYP1A2 (0.39) MEN1KMT2ACYP1A2PDE10APDE2A

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