SCHEMBL78926

SCHEMBL78926

Cc1cc(F)c(OCCOc2ccc(C(C)(C)C)cn2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
AR P10275 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
KDM4E B2RXH2 4/20 0.32
HTR1A P08908 1/20 0.32
REN P00797 5/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.31
S1PR4 O95977 1/20 0.31

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
SCHEMBL78925 0.91 L3MBTL1 (0.45) MAPTL3MBTL1HPGDMAPK1TDP1
SCHEMBL91276 0.81 MAPT (0.39) MAPTL3MBTL1HPGDMAPK1TDP1
SCHEMBL78164 0.80 OXTR (0.34) MAPTL3MBTL1HPGDMAPK1SMN1; SMN2
SCHEMBL78506 0.78 L3MBTL1 (0.44) MAPTL3MBTL1HPGDMAPK1SMN1; SMN2
SCHEMBL7716830 0.74 HPGD (0.41) MAPTL3MBTL1HPGDMAPK1SMN1; SMN2
SCHEMBL1750892 0.73 MAPT (0.48) MAPTL3MBTL1HPGDMAPK1TDP1
SCHEMBL78449 0.73 SCN8A (0.40) MAPTSMN1; SMN2KMT2AKDM4EHTR1A
SCHEMBL78167 0.72 KMT2A (0.54) MAPTL3MBTL1HPGDMAPK1TDP1
SCHEMBL78168 0.72 L3MBTL1 (0.46) MAPTL3MBTL1HPGDMAPK1TDP1
SCHEMBL23335673 0.71 MAPT (0.43) 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 2 patents. 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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed