SCHEMBL5682845

SCHEMBL5682845

N#CC1=C(Nc2cccc(Cl)c2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 6/20 0.46
CTSV O60911 1/20 0.44
PLAT P00750 1/20 0.44
CTSL P07711 1/20 0.44
CTSH P09668 1/20 0.44
CTSS P25774 1/20 0.44
CASP14 P31944 1/20 0.44
CTSK P43235 1/20 0.44
CASP6 P55212 1/20 0.44
CTSZ Q9UBR2 1/20 0.44
MEN1 O00255 4/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
CISD1 Q9NZ45 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
SCHEMBL8017383 0.81 MAPT (0.71) MAPTLMNAKMT2AMEN1ALOX15
SCHEMBL16539318 0.80 MAOB (0.47) MAPTLMNAKMT2ACTSVPLAT
SCHEMBL8006281 0.77 MAPT (0.60) MAPTLMNAKMT2AMEN1HSD17B10
SCHEMBL29152767 0.75 MEN1 (0.51) MAPTLMNAKMT2AMEN1
SCHEMBL30733200 0.75 MEN1 (0.51) MAPTLMNAKMT2AMEN1
SCHEMBL8022779 0.72 MAPT (0.50) MAPTLMNAKMT2AMEN1HSD17B10
SCHEMBL16539760 0.72 GRM5 (0.50) MAPTLMNAKMT2AMEN1TSHR
SCHEMBL8015461 0.71 LMNA (0.57) MAPTLMNACTSVPLATCTSL
SCHEMBL8006080 0.71 LMNA (0.57) MAPTLMNATSHRSMN1; SMN2TDP1
SCHEMBL8017798 0.71 MAPT (0.71) MAPTLMNAKMT2ACTSLCTSS

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-0877735-B1 POLYCYCLIC COMPOUNDS UNIV STRATHCLYDE (GB) 2006-03-08 EP disclosed
US-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed