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SCHEMBL7128396

SCHEMBL7128396

O=S(=O)(O)c1cc(-c2ccc(NN=Nc3ccc(O)c(C(F)(F)F)c3)c(S(=O)(=O)O)c2)ccc1NN=Nc1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.41
▸ HSD17B1 P14061 2/20 0.37
▸ HSD17B2 P37059 2/20 0.37
▸ KIF11 P52732 10/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 1/20 0.30

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
SCHEMBL14468499 0.81 BRD4 (0.44) BRD4HSD17B1HSD17B2MEN1KMT2A
SCHEMBL14391951 0.75 BRD4 (0.47) BRD4HSD17B1HSD17B2MEN1KMT2A
SCHEMBL19132207 0.70 BRD4 (0.42) BRD4HSD17B1HSD17B2MEN1KMT2A
SCHEMBL741685 0.70 PTPN11 (0.40) BRD4HSD17B1HSD17B2MEN1KMT2A
SCHEMBL14144407 0.67 BRD4 (0.47) BRD4CA2
SCHEMBL1938893 0.65 HSD17B1 (0.65) HSD17B1HSD17B2KIF11
SCHEMBL29485676 0.65 HSD17B1 (0.65) HSD17B1HSD17B2KIF11
SCHEMBL12534444 0.64 BRD4 (0.38) BRD4
SCHEMBL19131404 0.64 BRD4 (0.42) BRD4CA2
SCHEMBL17655299 0.63 MAPK1 (0.43) BRD4HSD17B1HSD17B2MEN1KMT2A

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-20030072896-A1 Photo-induced alignment materials and method for LCD fabrication THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2003-04-17 — — US disclosed