SCHEMBL22557527

SCHEMBL22557527

CCCNC(=O)c1cccc(C(O)CC#N)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
TP53BP1 Q12888 1/20 0.45
ERN1 O75460 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ROCK2 O75116 1/20 0.43
GAA P10253 3/20 0.42
MAPT P10636 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NAMPT P43490 1/20 0.41
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL30277616 0.79 TP53BP1 (0.67) L3MBTL1SMN1; SMN2ALDH1A1POLBTP53BP1
SCHEMBL104557 0.79 TP53BP1 (0.67) L3MBTL1SMN1; SMN2ALDH1A1POLBTP53BP1
SCHEMBL12829992 0.78 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2ALDH1A1POLBTP53BP1
SCHEMBL13763531 0.77 L3MBTL1 (0.80) L3MBTL1SMN1; SMN2ALDH1A1POLBTP53BP1
SCHEMBL18599247 0.77 TERT (0.44) L3MBTL1SMN1; SMN2ALDH1A1POLBTP53BP1
SCHEMBL12303198 0.76 TERT (0.49) L3MBTL1SMN1; SMN2TP53BP1GAAGPR139
SCHEMBL19062131 0.76 TERT (0.49) L3MBTL1SMN1; SMN2TP53BP1GAAGPR139
SCHEMBL12988864 0.75 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2ALDH1A1POLBERN1
SCHEMBL17658901 0.75 TP53BP1 (0.61) L3MBTL1SMN1; SMN2TP53BP1NPC1RAB9A
SCHEMBL8737487 0.74 TP53BP1 (0.46) L3MBTL1SMN1; SMN2TP53BP1GAAGPR139

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-2020212697-A1 INHIBITOR COMPOUNDS Azeria Therapeutics Limited (GB) 2020-10-22 WO disclosed
WO-2020212697-A1 INHIBITOR COMPOUNDS Azeria Therapeutics Limited (GB) 2020-10-22 WO disclosed