SCHEMBL11528499

SCHEMBL11528499

CCCC(=O)N(CC)c1nc(C)co1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL11533686 0.90 PLA2G4A (0.33) KDM4E
SCHEMBL11531229 0.87 MLYCD (0.40) TP53GAAHPGDTSHRMEN1
SCHEMBL11531654 0.85 TP53 (0.38) TP53NPC1RAB9A
SCHEMBL11525879 0.84 TP53 (0.34) TP53KDM4ELMNAGAAMEN1
SCHEMBL11531866 0.83 LMNA (0.39) TP53KDM4ELMNAHPGDL3MBTL1
SCHEMBL11529771 0.83 TP53 (0.33) TP53
SCHEMBL11530114 0.82 TP53 (0.44) TP53LMNAHTTMEN1KMT2A
SCHEMBL11530811 0.82 SMN1; SMN2 (0.34) KDM4ETSHR
SCHEMBL11531155 0.81 ALDH1A1 (0.36) TP53KDM4ELMNAMAPT
SCHEMBL11528434 0.81 ELANE (0.36) TP53KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4150143-A N-Substituted-acylamino-oxazoles as antiasthma agents LILLY INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed
US-4143047-A 2-SULFINYL AND 2-SULFONYL OXAZOLES LILLY INDUSTRIES LIMITED (GB) 1979-03-06 US disclosed
US-4122183-A ANTIASTHMATIC LILLY INDUSTRIES LIMITED (GB) 1978-10-24 US disclosed