SCHEMBL91267

SCHEMBL91267

CCc1ccc(OCCOc2c(F)ccc(F)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD3 P35462 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
CHKA P35790 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
KCNA3 P22001 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
SCHEMBL91291 0.91 LMNA (0.41) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL78179 0.80 KDM4E (0.43) LMNASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL10289207 0.80 OXTR (0.35) TDP1L3MBTL1MEN1KMT2AHRH3
SCHEMBL5929490 0.77 MAPT (0.62) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL91273 0.76 L3MBTL1 (0.50) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL10289213 0.73 REN (0.50) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL13617547 0.72 PLAU (0.41) KDM4E
SCHEMBL78505 0.72 KDM4E (0.41) LMNASMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL14579984 0.72 ALDH1A1 (0.56) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL17445912 0.71 ALDH1A1 (0.66) LMNASMN1; SMN2ALDH1A1MAPTHPGD

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