SCHEMBL13622603

SCHEMBL13622603

C=C(/N=C(/C(=O)OC)C(Cl)=C(N)N)c1csc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 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
SCHEMBL13622908 0.75 LMNA (0.41) MAPTHPGDMEN1KMT2AKDM4E
SCHEMBL8170346 0.72 HDAC3 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8159383 0.71 HDAC3 (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13622389 0.71 SMN1; SMN2 (0.37) MAPTHPGDMEN1KMT2AKDM4E
SCHEMBL13622393 0.71 GSK3B (0.39) HDAC6HPGDLMNA
SCHEMBL13256628 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL71339 0.68 HDAC3 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13622605 0.67 HCRTR1 (0.37) MEN1KMT2APOLBLMNA
SCHEMBL13622324 0.67 NNMT (0.33) MEN1KMT2AKDM4EHTR1A
SCHEMBL13622361 0.67 ALDH1A1 (0.39) MAPTHPGDMEN1KMT2AKDM4E

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-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 WO disclosed