SCHEMBL6600550

SCHEMBL6600550

CCOC(=O)CCCCCOc1ccc2nc(-c3cccs3)n(CCCOC)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
GAA P10253 4/20 0.46
GLA P06280 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 4/20 0.42
PLA2G2A P14555 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
P2RY12 Q9H244 3/20 0.42
PDE2A O00408 2/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL6484943 0.94 PDE3B (0.48) KDM4EGAAGLAHTTHPGD
SCHEMBL6474606 0.91 KDM4E (0.49) KDM4EGAAGLAHTTHPGD
SCHEMBL6526290 0.82 CYP11B1 (0.43) PLA2G2ALMNAPDE3BPDE3AP2RY12
SCHEMBL6484336 0.81 PDE3B (0.50) KDM4EHPGDSMN1; SMN2ALDH1A1PDE3B
SCHEMBL6481683 0.80 PDE3B (0.49) KDM4ESMN1; SMN2ALDH1A1PDE3BPDE3A
SCHEMBL6484254 0.79 PDE3B (0.50) KDM4EGAAHPGDSMN1; SMN2NPSR1
SCHEMBL6485249 0.79 PDE3B (0.50) KDM4ESMN1; SMN2RXFP1ALDH1A1PDE3B
SCHEMBL6480715 0.78 PDE3B (0.50) KDM4EHPGDALDH1A1HSD17B10PDE3B
SCHEMBL6484869 0.78 PDE3B (0.49) KDM4ESMN1; SMN2ALDH1A1PDE3BPDE3A
SCHEMBL6476128 0.78 HPGD (0.55) KDM4EHPGDSMN1; SMN2ALDH1A1PDE3B

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-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP disclosed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 WO disclosed