SCHEMBL6970047

SCHEMBL6970047

COC(=O)CCc1nc(C(C)C)c(Sc2cccc([N+](=O)[O-])c2)n1Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.38
GNRHR P30968 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL8115209 0.91 TBXAS1 (0.38) POLBMAPTGNRHRALDH1A1RXFP1
SCHEMBL8115213 0.91 TBXAS1 (0.38) POLBMAPTGNRHRALDH1A1RXFP1
SCHEMBL6973833 0.89 MAPT (0.36) POLBMAPTGNRHRALDH1A1SMN1; SMN2
SCHEMBL6973612 0.87 KMT2A (0.39) POLBMAPTALDH1A1RXFP1MEN1
SCHEMBL6969581 0.87 ENPP2 (0.37) MAPTLMNA
SCHEMBL6968344 0.87 ALDH1A1 (0.41) POLBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL7083710 0.87 KMT2A (0.38) POLBMAPTGNRHRALDH1A1SMN1; SMN2
SCHEMBL7081285 0.87 MAPT (0.37) POLBMAPTGNRHRALDH1A1SMN1; SMN2
SCHEMBL7084614 0.87 FKBP1A (0.38) POLBMAPTGNRHRALDH1A1ATM
SCHEMBL6973586 0.87 CYP11B1 (0.41) SMN1; SMN2MEN1KMT2ALMNAGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed