SCHEMBL7574535

SCHEMBL7574535

O=C(Nc1ccc(Cl)cc1)c1[c]cccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
NPC1 O15118 7/20 0.44
RAB9A P51151 6/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
P2RX1 P51575 1/20 0.42
PNLIP P16233 1/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7573660 0.84 NPC1 (0.46) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL7583446 0.79 KMT2A (0.50) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL8436507 0.75 NPC1 (0.41) F10NPC1RAB9ALMNAHTT
SCHEMBL7574870 0.74 ALDH1A1 (0.39) NPC1RAB9AHTTKMT2ASMN1; SMN2
SCHEMBL7583871 0.73 NPC1 (0.51) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL7240252 0.71 NPC1 (0.51) F10NPC1RAB9ALMNAHTT
SCHEMBL10387050 0.70 NPC1 (0.54) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL1180898 0.69 PRNP (0.34) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL7573916 0.69 MAPK1 (0.53) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL10388317 0.68 THRB (0.31) NPC1RAB9ASMN1; SMN2ALDH1A1

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-0882730-B1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-10-02 EP disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed