SCHEMBL4453442

SCHEMBL4453442

COC(=O)Oc1cccc2ncn(CC(=O)Nc3ccc(C)c(C)c3)c12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.62
HTT P42858 2/20 0.62
RXFP1 Q9HBX9 2/20 0.52
POLB P06746 3/20 0.49
LMNA P02545 5/20 0.48
TSHR P16473 3/20 0.48
USP2 O75604 2/20 0.48
HPGD P15428 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
GUSB P08236 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL4457005 0.86 POLB (0.48) SMN1; SMN2HTTPOLBLMNATSHR
SCHEMBL3035200 0.84 SMN1; SMN2 (0.65) SMN1; SMN2HTTRXFP1POLBLMNA
SCHEMBL4451021 0.81 SMN1; SMN2 (0.67) SMN1; SMN2HTTRXFP1POLBLMNA
SCHEMBL3031989 0.80 SMN1; SMN2 (0.65) SMN1; SMN2HTTRXFP1POLBLMNA
SCHEMBL4462916 0.79 RXFP1 (0.47) RXFP1POLBLMNAKMT2AMAPT
SCHEMBL4457060 0.79 HDAC6 (0.47) HPGDALDH1A1KMT2AMAPT
SCHEMBL3039155 0.79 SMN1; SMN2 (0.64) SMN1; SMN2HTTRXFP1POLBLMNA
SCHEMBL4975792 0.77 POLB (0.54) SMN1; SMN2HTTPOLBLMNATSHR
SCHEMBL3045782 0.76 SMN1; SMN2 (0.51) SMN1; SMN2HTTPOLBLMNAMEN1
SCHEMBL4453253 0.75 SMN1; SMN2 (0.58) SMN1; SMN2HTTRXFP1POLBLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed