SCHEMBL65612

SCHEMBL65612

Cc1cc(Cl)c(OCCBr)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6748217 0.86 MAPT (0.51) MAPTHPGDL3MBTL1MAPK1KMT2A
SCHEMBL9324460 0.83 MAPT (0.45) MAPTHPGDL3MBTL1MAPK1KDM4E
SCHEMBL17087123 0.81 MAPT (0.53) MAPTHPGDL3MBTL1MAPK1KMT2A
SCHEMBL7266985 0.81 KMT2A (0.46) MAPTHPGDL3MBTL1MAPK1KMT2A
SCHEMBL2799797 0.81 MAPT (0.53) MAPTHPGDL3MBTL1MAPK1KMT2A
SCHEMBL660641 0.79 MAPT (0.51) MAPTHPGDL3MBTL1MAPK1KMT2A
SCHEMBL12243847 0.79 MAPT (0.56) MAPTHPGDL3MBTL1MAPK1KMT2A
SCHEMBL8408395 0.79 HPGD (0.41) MAPTHPGDL3MBTL1MAPK1KDM4E
SCHEMBL5592615 0.78 KMT2A (0.46) MAPTL3MBTL1KMT2AMEN1KDM4E
SCHEMBL2376058 0.78 MAPT (0.54) MAPTHPGDL3MBTL1MAPK1KMT2A

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