SCHEMBL6544454

SCHEMBL6544454

CNc1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSD17B10 Q99714 1/20 0.41
NR4A1 P22736 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRAF P15056 1/20 0.33
HDAC1 Q13547 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL13211386 0.84 NR4A1 (0.54) MAPTPOLBNR4A1KDM4EMEN1
SCHEMBL30166991 0.81 HDAC1 (0.47) MAPTNR4A1KDM4EMEN1KMT2A
SCHEMBL9816025 0.77 ALDH1A1 (0.52) MAPTPOLBNR4A1MEN1KMT2A
SCHEMBL28967619 0.76 MAOB (0.48) MAPTNR4A1MEN1KMT2AHTT
SCHEMBL3487927 0.75 HSPB1 (0.48) ALDH1A1
SCHEMBL9738942 0.75 MEN1 (0.48) NR4A1MEN1KMT2ABRAFHDAC1
SCHEMBL1131363 0.74 ALDH1A1 (0.53) MAPTHSD17B10NR4A1KDM4EMEN1
SCHEMBL9332364 0.74 HTR2A (0.36) KDM4EHTTBRAFHDAC1CYP3A4
SCHEMBL6544182 0.74 MAPT (0.45) MAPTPOLBHSD17B10MEN1LMNA
SCHEMBL12273892 0.73 NR4A1 (0.42) MAPTPOLBNR4A1MEN1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed