SCHEMBL3455841

SCHEMBL3455841

Nc1ccc(C(=O)NNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL7363675 0.82 MAPK8 (0.67) KMT2ASMN1; SMN2
SCHEMBL7911632 0.81 ALDH1A1 (0.77) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL3454285 0.81 ALDH1A1 (0.61) KMT2AALDH1A1GAAMAPTRAB9A
SCHEMBL5214807 0.79 ALDH1A1 (0.65) KMT2AALDH1A1GAAMAPTRAB9A
SCHEMBL5094162 0.79 ALDH1A1 (0.60) KMT2AALDH1A1GAARAB9A
SCHEMBL5215974 0.79 ALDH1A1 (0.61) KMT2AALDH1A1GAAMAPTPDE10A
SCHEMBL4086210 0.77 MAPK8 (0.64) KMT2ASMN1; SMN2
SCHEMBL4165132 0.77 RAB9A (0.74) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL4600567 0.77 KMT2A (0.82) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL5215442 0.77 ALDH1A1 (0.62) KMT2AALDH1A1GAAMAPT

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed