SCHEMBL91276

SCHEMBL91276

CCc1ccc(OCCOc2c(F)cc(C)cc2Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
REN P00797 11/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
S1PR4 O95977 1/20 0.32
HTR1A P08908 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL78926 0.81 MAPT (0.38) MAPTL3MBTL1HPGDMAPK1REN
SCHEMBL10289207 0.79 OXTR (0.35) L3MBTL1TDP1RXRAGRIN1GRIN2B
SCHEMBL91185 0.77 L3MBTL1 (0.49) MAPTL3MBTL1HPGDTDP1SMN1; SMN2
SCHEMBL23335673 0.75 MAPT (0.43) MAPTL3MBTL1HPGDMAPK1TDP1
SCHEMBL1750892 0.74 MAPT (0.48) MAPTL3MBTL1HPGDMAPK1TDP1
SCHEMBL10289285 0.73 MAPT (0.41) MAPTSMN1; SMN2HTR1AKDM4EALDH1A1
SCHEMBL10289208 0.72 L3MBTL1 (0.49) MAPTL3MBTL1HPGDMAPK1TDP1
SCHEMBL12504658 0.71 LMNA (0.39) MAPTL3MBTL1HPGDMAPK1REN
SCHEMBL3660700 0.71 KDM4E (0.50) MAPTL3MBTL1HPGDMAPK1REN
SCHEMBL13538240 0.71 KDM4E (0.45) MAPTL3MBTL1HPGDMAPK1TDP1

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-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed