SCHEMBL28070596

SCHEMBL28070596

Cc1ccc(-c2cn[nH]n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 14/20 1.00
METAP1 P53582 1/20 1.00
NOTUM Q6P988 2/20 0.64
IDO1 P14902 4/20 0.63
KEAP1 Q14145 1/20 0.63
SIRT3 Q9NTG7 1/20 0.50
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
PAK4 O96013 1/20 0.49
PIM1 P11309 1/20 0.49
KDR P35968 1/20 0.49
GSK3B P49841 1/20 0.49
AURKB Q96GD4 1/20 0.49
HAO1 Q9UJM8 2/20 0.48

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
SCHEMBL28033548 0.78 METAP2 (0.64) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL29626826 0.78 METAP2 (1.00) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL104083 0.78 METAP2 (0.64) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL3697643 0.78 METAP2 (0.63) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL8221447 0.77 METAP2 (1.00) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL13993856 0.76 METAP2 (1.00) METAP2METAP1IDO1KEAP1SIRT3
SCHEMBL8664138 0.76 METAP2 (0.95) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL5025520 0.76 IDO1 (1.00) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL1030506 0.74 METAP2 (0.63) METAP2METAP1NOTUMIDO1KEAP1
SCHEMBL28855935 0.74 METAP2 (0.68) METAP2METAP1NOTUMIDO1KEAP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674037-A The method of one kind 5 methyl 2 (triazoles of 2H 1,2,3) benzoic acid of synthesis 四川大学 2018-02-09 CN disclosed
CN-105669569-B A kind of synthetic method of the triazole compounds of NH 1,2,3 武汉工程大学 2017-12-12 CN disclosed
CN-105566235-B The method of the substep synthesis triazoles of NH 1,2,3 is catalyzed using aluminium salt 武汉工程大学 2017-11-21 CN disclosed
CN-105669569-A Synthesis method of NH-1,2,3-triazole compound 武汉工程大学 2016-06-15 CN disclosed