SCHEMBL6418155

SCHEMBL6418155

CC[Sn](CC)(CC)c1nc2ccccc2o1.[Li]CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
MIF P14174 1/20 0.40
CNR2 P34972 6/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 3/20 0.38
FAAH O00519 2/20 0.38
CES1 P23141 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGS2 P35354 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4261648 0.88 NPC1 (0.48) TDP1MAPTALDH1A1KMT2AHSD17B10
SCHEMBL2474145 0.82 ATM (0.44) ATMTDP1L3MBTL1MAPTALDH1A1
SCHEMBL591905 0.67 RAB9A (0.72) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL30184671 0.67 RAB9A (0.72) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL439174 0.66 MAPT (0.70) MAPTALDH1A1KMT2AHSD17B10LMNA
Benzene SCHEMBL28280876 0.66 RAB9A (0.70) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL6416075 0.65 FAAH (0.32) FAAHCES1
SCHEMBL2567453 0.65 MAPT (0.68) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL11623669 0.65 MAPT (0.68) MAPTALDH1A1KMT2AHSD17B10LMNA
SCHEMBL14402606 0.65 MAPT (0.68) MAPTALDH1A1KMT2AHSD17B10LMNA

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-1499616-A1 HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2005-01-26 EP disclosed
WO-2003087104-A1 HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2003-10-23 WO disclosed