SCHEMBL7719683

SCHEMBL7719683

CCCCCCOc1ccc2nc(-c3sccc3C)n(-c3ccc(C)cc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 9/20 0.40
CYP1A2 P05177 3/20 0.38
PDE10A Q9Y233 3/20 0.38
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
CACNA2D1 P54289 1/20 0.34
FGFR1 P11362 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CASP1 P29466 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7717840 0.88 PDE3B (0.43) PDE2A
SCHEMBL2324162 0.87 PDE3B (0.46) PDE2A
SCHEMBL6618358 0.82 DHFR (0.41) PDE2ACYP1A2PDE10AMAPTTP53
SCHEMBL7719001 0.82 CYP1A2 (0.39) PDE2ACYP1A2PDE10AMAPTTP53
SCHEMBL7721656 0.81 PDE2A (0.38) PDE2ACYP1A2PDE10AMAPTTP53
SCHEMBL6618378 0.81 CYP3A4 (0.44) PDE2ACYP1A2PDE10AMAPTTP53
SCHEMBL6584270 0.80 PDE2A (0.44) PDE2ACYP1A2PDE10AMAPTTP53
SCHEMBL6619017 0.77 CYP19A1 (0.47) PDE2AMAPTTP53GAANPC1
SCHEMBL6583523 0.76 APLNR (0.47) PDE2ACYP1A2PDE10AMEN1KMT2A
SCHEMBL6618975 0.76 CYP19A1 (0.48) PDE2AMAPTTP53GAANPC1

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-1246808-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-09 EP disclosed
WO-2001051473-A1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 WO disclosed