SCHEMBL9804546

SCHEMBL9804546

CCOC(=O)c1c(SCCC#N)c(C#N)c2ccccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 5/20 0.48
NMT2 O60551 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPK1 P28482 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 4/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
IDO1 P14902 1/20 0.40
HBB P68871 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL9806456 0.87 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL4910987 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL8323632 0.73 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL10575357 0.72 ALDH1A1 (0.47) NMT1NMT2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL8325193 0.71 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL17331499 0.70 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL9619519 0.70 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL10574456 0.69 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL2970846 0.69 MAPK1 (0.48) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1
SCHEMBL343728 0.69 PSEN1 (0.46) SMN1; SMN2ALDH1A1MAPK1KMT2AMEN1

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
JP-3099079-A None JP disclosed
JP-H0399079-A INDOLIZINE DERIVATIVE KISSEI PHARMACEUT CO LTD 1991-04-24 JP disclosed