SCHEMBL6018083

SCHEMBL6018083

O=C(Nc1ccc(F)cc1)Nc1nc2ccc(OS(=O)(=O)c3ccc(NC4CCCC4)cc3)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.50
ENPP1 P22413 4/20 0.50
ENPP2 Q13822 3/20 0.50
TEK Q02763 10/20 0.49
KDR P35968 9/20 0.49
MET P08581 2/20 0.46
CDK9 P50750 2/20 0.46
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 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
SCHEMBL5036539 0.93 ENPP3 (0.50) ENPP3ENPP1ENPP2TEKKDR
SCHEMBL5035957 0.85 ENPP3 (0.46) ENPP3ENPP1ENPP2TEKKDR
SCHEMBL5036578 0.85 MTOR (0.52) ENPP3ENPP1ENPP2TEKKDR
SCHEMBL5043065 0.85 NPC1 (0.44) ENPP3ENPP1ENPP2TEKKDR
SCHEMBL5033465 0.85 CNR1 (0.43) ENPP3ENPP1ENPP2TEKKDR
SCHEMBL5042876 0.83 EPHX1 (0.42) ENPP3ENPP1ENPP2TEKKDR
SCHEMBL5036480 0.82 NPC1 (0.53) ENPP3ENPP1ENPP2CA12CA9
SCHEMBL5042858 0.82 NPC1 (0.50) ENPP3ENPP1ENPP2TEKKDR
SCHEMBL5041053 0.82 NPC1 (0.52) ENPP3ENPP1ENPP2CA12CA9
SCHEMBL5033714 0.82 NPC1 (0.54) ENPP3ENPP1ENPP2CA12CA9

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
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed