SCHEMBL21029959

SCHEMBL21029959

C=C(OC(C)(C)C)N1CCN(c2nc(Cl)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PIK3CA P42336 4/20 0.42
HTT P42858 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MTOR P42345 3/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 2/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL909718 0.85 USP2 (0.56) MAPTL3MBTL1PIK3CAHTTSMN1; SMN2
SCHEMBL24851270 0.83 KMT2A (0.46) MAPTL3MBTL1PIK3CASMN1; SMN2MEN1
SCHEMBL14387482 0.75 MEN1 (0.50) MAPTPIK3CAHTTSMN1; SMN2MEN1
SCHEMBL28604242 0.75 L3MBTL1 (0.53) MAPTL3MBTL1PIK3CAHTTSMN1; SMN2
SCHEMBL15879042 0.75 MEN1 (0.50) MAPTPIK3CAHTTSMN1; SMN2MEN1
SCHEMBL1308905 0.75 MAPT (0.61) MAPTL3MBTL1PIK3CAHTTSMN1; SMN2
SCHEMBL15557358 0.74 HTT (0.51) MAPTL3MBTL1PIK3CAHTTSMN1; SMN2
SCHEMBL23505759 0.74 SORD (0.37) MAPTL3MBTL1PIK3CAMAPK1MEN1
SCHEMBL1310780 0.73 MAPT (0.60) MAPTL3MBTL1PIK3CAHTTSMN1; SMN2
SCHEMBL1409174 0.72 GPR119 (0.49) MAPTPIK3CASMN1; SMN2MEN1KMT2A

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-2019101853-A1 TREATMENT OF SKIN DISORDERS PIQUR THERAPEUTICS AG (CH) 2019-05-31 WO disclosed