SCHEMBL4240353

SCHEMBL4240353

Oc1cccc(O)c1-c1cn(-c2ccccc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.49
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
NOTUM Q6P988 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
HDAC8 Q9BY41 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
PTGS2 P35354 2/20 0.47
CA5A P35218 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
EGLN1 Q9GZT9 1/20 0.46
P2RX7 Q99572 1/20 0.46
MAOA P21397 1/20 0.45
MAPT P10636 1/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL1908790 0.84 MIF (0.50) MIFHSD17B1HSD17B2NOTUML3MBTL1
SCHEMBL23086229 0.76 HSD17B1 (0.74) MIFHSD17B1HSD17B2CA12CA1
SCHEMBL1119554 0.76 PTGS2 (0.66) MIFHSD17B1HSD17B2NOTUML3MBTL1
SCHEMBL23430997 0.76 MAPT (0.77) MIFHSD17B1HSD17B2CA12CA1
Bromide SCHEMBL6256547 0.74 PTGS2 (0.64) MIFHSD17B1HSD17B2NOTUML3MBTL1
SCHEMBL23028378 0.74 NOTUM (0.58) MIFHSD17B1HSD17B2NOTUML3MBTL1
SCHEMBL12599087 0.72 HSD17B1 (0.74) MIFHSD17B1HSD17B2CA12CA1
SCHEMBL4244235 0.72 CYP19A1 (0.64) MIFHDAC8PTGS2EGLN1
SCHEMBL4550718 0.70 HSP90AA1 (0.51) MIFHSD17B1HSD17B2NOTUML3MBTL1
SCHEMBL6953018 0.70 FLT3 (0.77) MIFNOTUML3MBTL1CA12CA1

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-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed