SCHEMBL91185

SCHEMBL91185

CCc1ccc(OCCOc2c(Cl)cccc2Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.49
HPGD P15428 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SCN9A Q15858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10289208 0.85 L3MBTL1 (0.49) L3MBTL1HPGDMAPTRAB9AKMT2A
SCHEMBL10289285 0.83 MAPT (0.41) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL10289207 0.78 OXTR (0.35) L3MBTL1KDM4EKMT2ALTA4HHRH3
SCHEMBL78506 0.78 L3MBTL1 (0.44) L3MBTL1HPGDKDM4EHTR1AADRA1D
SCHEMBL91273 0.78 L3MBTL1 (0.50) L3MBTL1HPGDKDM4EMAPTKMT2A
SCHEMBL91276 0.77 MAPT (0.39) L3MBTL1HPGDKDM4EHTR1AMAPT
SCHEMBL13185115 0.77 PIK3CD (0.45) L3MBTL1KDM4EMAPTRAB9ALTA4H
SCHEMBL300799 0.74 PIK3CD (0.43) L3MBTL1KDM4EMAPTRAB9AKMT2A
SCHEMBL19697169 0.74 APP (0.41) L3MBTL1KDM4EMAPTRAB9ALTA4H
SCHEMBL12141547 0.73 MAPT (0.52) L3MBTL1KDM4EMAPTRAB9AHRH3

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