SCHEMBL9860722

SCHEMBL9860722

O=C(O)Nc1nc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.44
ENPP3 O14638 5/20 0.44
MET P08581 2/20 0.43
CDK9 P50750 2/20 0.43
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
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
NPC1 O15118 6/20 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
Luxabendazole SCHEMBL29765623 0.89 TUBB4A (0.56) ENPP1ENPP3METCDK9TUBB4A
Luxabendazole SCHEMBL6055930 0.89 TUBB4A (0.56) ENPP1ENPP3METCDK9TUBB4A
SCHEMBL5036233 0.86 ENPP3 (0.55) ENPP1ENPP3METCDK9TUBB4A
SCHEMBL5037860 0.86 MET (0.46) ENPP1ENPP3METCDK9TUBB4A
SCHEMBL5036108 0.81 RAB9A (0.50) ENPP1ENPP3RAB9ASMN1; SMN2TP53
Luxabendazole SCHEMBL321908 0.81 TUBB4A (0.67) METCDK9TUBB4ATUBBTUBA3C
SCHEMBL11860103 0.80 MET (0.60) METCDK9TUBB4ATUBBTUBA3C
Luxabendazole SCHEMBL1193261 0.80 TUBB4A (0.66) METCDK9TUBB4ATUBBTUBA3C
SCHEMBL5036539 0.80 ENPP3 (0.50) ENPP1ENPP3NPC1RAB9AENPP2
SCHEMBL10738488 0.79 TUBB4A (0.54) METCDK9TUBB4ATUBBTUBA3C

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
EP-0279343-B1 COMBINATIONS OF ANTHELMINTICALLY ACTIVE AGENTS BAYER AG (DE) 1991-06-05 EP disclosed