SCHEMBL28111210

SCHEMBL28111210

NC(=O)c1ccc(N(Cc2ccccc2)C2CCCCC2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
AGER Q15109 3/20 0.42
MTNR1A P48039 1/20 0.42
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
EPHX2 P34913 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
G6PC1 P35575 1/20 0.36
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.36
TRPV1 Q8NER1 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
SCHEMBL433534 0.79 G6PC1 (0.38) SMN1; SMN2LMNAAGERMTNR1AMAPK1
SCHEMBL8808223 0.73 SMN1; SMN2 (0.58) SMN1; SMN2LMNAMAPK1ALDH1A1KDM4E
SCHEMBL9057974 0.70 G6PC1 (0.42) SMN1; SMN2LMNAAGERMTNR1AMAPK1
SCHEMBL9057644 0.70 G6PC1 (0.42) SMN1; SMN2LMNAAGERMTNR1AMAPK1
SCHEMBL4476467 0.69 G6PC1 (0.54) SMN1; SMN2AGERMTNR1AMAPK1L3MBTL1
SCHEMBL10891206 0.69 G6PC1 (0.50) SMN1; SMN2AGERMTNR1AMAPK1ALDH1A1
SCHEMBL6658628 0.68 AGER (0.41) SMN1; SMN2LMNAAGERMTNR1AMAPK1
SCHEMBL2814615 0.68 AGER (0.67) SMN1; SMN2AGERMTNR1AMAPK1L3MBTL1
SCHEMBL9057107 0.68 G6PC1 (0.40) SMN1; SMN2LMNAAGERMTNR1AMAPK1
Carbamic Acid SCHEMBL28311097 0.68 AGER (0.46) SMN1; SMN2LMNAAGERMTNR1AMAPK1

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
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN claimed
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN disclosed