SCHEMBL3403620

SCHEMBL3403620

CCOC(=O)c1c(C)nnn1-c1ccc(F)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
POLB P06746 4/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.48
KMT2A Q03164 2/20 0.45
BRD9 Q9H8M2 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
SLC5A1 P13866 2/20 0.43
SLC5A2 P31639 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
NOTUM Q6P988 1/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41

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
SCHEMBL25045387 0.85 KMT2A (0.56) MAPK1SMN1; SMN2KMT2ATP53MAPT
SCHEMBL3406655 0.83 POLB (0.62) ALDH1A1POLBMAPK1SMN1; SMN2RXFP1
SCHEMBL15741969 0.81 SMN1; SMN2 (0.63) ALDH1A1POLBMAPK1SMN1; SMN2RXFP1
SCHEMBL25044743 0.79 SLC5A1 (0.57) ALDH1A1POLBMAPK1SMN1; SMN2TP53
SCHEMBL15897976 0.78 CA12 (0.53) ALDH1A1MAPK1SMN1; SMN2TP53MAPT
SCHEMBL30282905 0.77 TP53 (0.49) ALDH1A1MAPK1SMN1; SMN2TP53MAPT
SCHEMBL14710979 0.77 SLC5A1 (0.59) ALDH1A1MAPK1SMN1; SMN2TP53MAPT
SCHEMBL4495998 0.77 RXFP1 (0.48) ALDH1A1POLBMAPK1SMN1; SMN2RXFP1
SCHEMBL20028111 0.77 TP53 (0.66) ALDH1A1MAPK1SMN1; SMN2KMT2ATP53
SCHEMBL25044788 0.77 ADORA1 (0.47) SMN1; SMN2KMT2ATP53MAPTSLC5A1

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
EP-2252599-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY Glaxo Group Limited (GB) 2010-11-24 EP disclosed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed