SCHEMBL4729920

SCHEMBL4729920

CCCCC(=O)Nc1cccc(-c2cn3ccccc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
LMNA P02545 6/20 1.00
MAPT P10636 5/20 1.00
KDM4E B2RXH2 12/20 0.80
SMN1; SMN2 Q16637 6/20 0.80
HPGD P15428 4/20 0.80
RAB9A P51151 4/20 0.80
TP53 P04637 3/20 0.80
NPC1 O15118 2/20 0.80
POLB P06746 3/20 0.65
GFER P55789 2/20 0.65
MAPK1 P28482 1/20 0.63
GLA P06280 1/20 0.62
GAA P10253 1/20 0.62
KMT2A Q03164 1/20 0.59

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
SCHEMBL1494696 0.89 KDM4E (1.00) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL13401433 0.87 ALDH1A1 (0.77) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL25312016 0.83 ALDH1A1 (0.81) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL29484580 0.83 ALDH1A1 (0.81) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL28933829 0.81 ALDH1A1 (0.78) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL14076569 0.78 KDM4E (0.72) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL1494939 0.76 ALDH1A1 (0.77) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL1494791 0.76 GFER (0.79) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL25879189 0.76 KDM4E (0.69) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL25876071 0.75 KDM4E (0.73) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2

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
WO-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed