SCHEMBL4980035

SCHEMBL4980035

Cc1cc(Cl)c(OCCOc2ncccc2Br)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
S1PR4 O95977 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 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
SCHEMBL458403 0.75 TSHR (0.45) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL3735442 0.75 MAPT (0.52) MAPTHPGDMAPK1L3MBTL1KMT2A
SCHEMBL4006188 0.74 HTR1A (0.42) MAPTHPGDMAPK1L3MBTL1KMT2A
SCHEMBL6497375 0.73 ALDH1A1 (0.43) MAPTHPGDMAPK1L3MBTL1KDM4E
SCHEMBL1751411 0.72 MAPT (0.49) MAPTHPGDMAPK1L3MBTL1KMT2A
SCHEMBL12877931 0.72 CYP2D6 (0.44) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL1750892 0.71 MAPT (0.48) MAPTHPGDMAPK1L3MBTL1KMT2A
SCHEMBL3381282 0.70 FAAH (0.43) MAPK1KDM4EALDH1A1LMNACYP1A2
SCHEMBL5795265 0.70 MAPT (0.58) MAPTHPGDMAPK1L3MBTL1KMT2A
SCHEMBL12135760 0.70 APP (0.45) MAPTHPGDMAPK1L3MBTL1KMT2A

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
EP-1994026-A2 NEW AMINES Actelion Pharmaceuticals Ltd. (CH) 2008-11-26 EP disclosed
WO-2007102127-A2 NEW AMINES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-13 WO disclosed