SCHEMBL3407064

SCHEMBL3407064

CCn1c(Cn2ccnc2-c2ncccn2)nc2cc(Cl)c(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.37
BRD4 O60885 2/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
PABPC1 P11940 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL3070792 0.93 KDM4E (0.50) KDM4ELMNABRD4TP53MAPT
SCHEMBL3065506 0.87 KDM4E (0.34) KDM4EBRD4MAPTALDH1A1GAA
SCHEMBL3062324 0.84 TP53 (0.43) KDM4ELMNATP53MAPTALDH1A1
SCHEMBL3060419 0.84 TP53 (0.43) KDM4ELMNATP53MAPTALDH1A1
SCHEMBL3060648 0.82 KDM4E (0.33) KDM4EBRD4MAPTALDH1A1GAA
SCHEMBL3072587 0.82 ACSS2 (0.42) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL3055685 0.80 MAPT (0.49) KDM4ELMNATP53MAPTALDH1A1
SCHEMBL3060459 0.80 MAPT (0.39) KDM4ETP53MAPTALDH1A1GAA
SCHEMBL3065922 0.80 RPS6KA5 (0.42) KDM4EMAPTALDH1A1GAAHPGD
SCHEMBL3060232 0.80 CYP11B2 (0.50) KDM4EBRD4MAPTALDH1A1GAA

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-1368342-B3 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2010-12-01 EP claimed
EP-1368342-B1 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORP (US) 2005-09-07 EP claimed