SCHEMBL5553536

SCHEMBL5553536

C=CCn1cc2ccccc2c1CCCCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR2 P34972 7/20 0.36
CNR1 P21554 4/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TLR8 Q9NR97 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
Bromide SCHEMBL4012720 0.77 PDE4B (0.42) PDE4BPDE4DMAPTMEN1KMT2A
SCHEMBL632967 0.75 CDC25A (0.48) MEN1KMT2A
SCHEMBL9540065 0.69 TDP1 (0.51) PDE4BPDE4DMAPTATMSMN1; SMN2
SCHEMBL20274635 0.66 LMNA (0.43) MAPTATMMEN1KMT2ANPC1
SCHEMBL5706422 0.66 OXER1 (0.47) LMNA
SCHEMBL4925728 0.66 KMT2A (0.46) CNR2CNR1MAPTSMN1; SMN2MEN1
SCHEMBL3845755 0.64 THRA (0.41) CNR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6426934 0.64 NCEH1 (0.41) CNR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8712775 0.64 GAA (0.46) CNR1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24199373 0.63 KMT2A (0.51) PDE4BPDE4DCNR2MAPTATM

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-2236606-B1 Ligational encoding of small molecules NUEVOLUTION AS (DK) 2013-11-06 EP claimed
EP-1310510-B1 Topologically segregated, encoded solid phase libraries AVENTIS PHARMA INC (US) 2007-07-11 EP claimed
EP-0705279-B1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORP (US) 2003-02-19 EP claimed