SCHEMBL9072004

SCHEMBL9072004

COc1ccccc1C1CC(c2ccc(F)cc2)=NN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.51
MAOB P27338 2/20 0.51
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
CXCL12 P48061 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL2667043 0.88 CXCL12 (0.60) MAOAMAOBTUBB4ATUBBTUBA3C
SCHEMBL2666990 0.80 MAOA (0.50) MAOAMAOBTUBB4ATUBBTUBA3C
SCHEMBL2666926 0.76 MAOA (0.44) MAOAMAOBCA1CA2HSP90AA1
SCHEMBL28137299 0.74 CA1 (0.65) MAOAMAOBTUBB4ATUBBTUBA3C
SCHEMBL2666928 0.72 HTR2C (0.41) MAOAMAOBHSP90AA1HSP90AB1ERBB2
SCHEMBL2666744 0.71 KCNK9 (0.51) MAOAMAOBTSHRALDH1A1MAPT
SCHEMBL2666743 0.71 PKM (0.41) MAOAMAOBCA1CA2HSP90AA1
SCHEMBL2667068 0.71 HTR2C (0.40) MAOAMAOBHSP90AA1HSP90AB1ERBB2
SCHEMBL1660314 0.71 MAOA (0.61) MAOAMAOBTUBB4ATUBBTUBA3C
SCHEMBL2666940 0.71 SYK (0.44) MAOAMAOBTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed