SCHEMBL7583871

SCHEMBL7583871

O=C(Nc1ccc(Cl)cc1)c1[c]cccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.51
RAB9A P51151 9/20 0.51
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
MAPK1 P28482 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PNLIP P16233 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL483177 0.86 RAB9A (0.49) RAB9ALMNAHTTKMT2AMEN1
SCHEMBL2701740 0.85 FADS1 (0.53) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL27499232 0.85 LMNA (0.53) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL11410940 0.83 NPC1 (0.57) NPC1RAB9ALMNAHTTMAPK1
SCHEMBL7578629 0.83 RAB9A (0.54) NPC1RAB9ALMNAHTTKMT2A
SCHEMBL10388406 0.80 P2RX1 (0.53) NPC1RAB9ALMNAHTTMAPK1
SCHEMBL28142622 0.80 RAB9A (0.60) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL7576082 0.79 MAPK1 (0.49) NPC1RAB9ALMNAHTTMAPK1
SCHEMBL7578806 0.77 CYP1A2 (0.57) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1196438 0.77 TMPRSS4 (0.50) NPC1RAB9ALMNAHTTKMT2A

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
EP-0882730-B1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-10-02 EP disclosed
US-5985858-A TREATING AND PREVENTING HYPERLIPIDEMIA, DIABETES AND CATARACT, OR AS AN ANTITUMOR AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed