SCHEMBL3521150

SCHEMBL3521150

COc1c(Br)cc(Br)cc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
ALOX15 P16050 3/20 0.44
ALOX12 P18054 2/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
TPMT P51580 2/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36

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
SCHEMBL19607137 0.88 HSD17B10 (0.45) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL301662 0.83 HSD17B10 (0.59) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL1530384 0.82 CA2 (0.52) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL19607300 0.80 KDM4E (0.43) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL30017049 0.80 KDM4E (0.43) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL24252805 0.78 HSD17B10 (0.35) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL30015664 0.78 HSD17B10 (0.35) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL482635 0.78 CA2 (0.43) HSD17B10CA2CA4TPMTMAPT
SCHEMBL12678876 0.75 PTGS2 (0.40) HSD17B10CA2CA4ALOX15TPMT
SCHEMBL11216824 0.74 HSD17B10 (0.52) HSD17B10CA2CA4ALOX15ALOX12

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-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed