SCHEMBL3407149

SCHEMBL3407149

CCOC(=O)c1nnn(-c2ccc(F)cn2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
ALOX12 P18054 1/20 0.57
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.51
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MITF O75030 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
SPR P35270 1/20 0.45
PTGS2 P35354 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL15167714 0.84 SMN1; SMN2 (0.61) TP53ALOX12KMT2AMAPTSLC5A1
SCHEMBL3402296 0.82 TP53 (0.75) TP53ALOX12KMT2AMAPTSLC5A1
SCHEMBL3406737 0.78 TP53 (0.64) TP53ALOX12KMT2AMAPTSLC5A1
SCHEMBL3405863 0.76 TP53 (0.67) TP53ALOX12KMT2AMAPTSLC5A1
SCHEMBL30445295 0.76 TP53 (0.50) TP53ALOX12KMT2AMAPTALDH1A1
SCHEMBL20575495 0.76 TP53 (0.50) TP53ALOX12KMT2AMAPTALDH1A1
SCHEMBL16827637 0.75 LMNA (0.49) KMT2AALDH1A1LMNAHPGDCA1
SCHEMBL3406973 0.74 TP53 (0.67) TP53ALOX12KMT2AMAPTSLC5A1
SCHEMBL25767433 0.74 TP53 (0.67) TP53ALOX12KMT2AMAPTSLC5A1
SCHEMBL11972050 0.74 CNR1 (0.48)

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 3 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
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed