SCHEMBL4453253

SCHEMBL4453253

Cc1cc(NC(=O)Cn2cnc3cccc(C)c32)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
HTT P42858 2/20 0.58
NTRK1 P04629 1/20 0.50
RXFP1 Q9HBX9 3/20 0.48
GUSB P08236 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
TP53 P04637 1/20 0.42
PRSS1 P07477 1/20 0.42

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
SCHEMBL4457091 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HTTNTRK1RXFP1GUSB
SCHEMBL4451021 0.87 SMN1; SMN2 (0.67) SMN1; SMN2HTTRXFP1GUSBRAB9A
SCHEMBL3038535 0.84 HTT (0.56) SMN1; SMN2HTTNTRK1GUSBRAB9A
SCHEMBL4453257 0.81 TP53 (0.59) SMN1; SMN2HTTNTRK1RXFP1RAB9A
SCHEMBL3044840 0.81 MEN1 (0.67) SMN1; SMN2HTTNTRK1RAB9ANPC1
SCHEMBL3037995 0.80 RXFP1 (0.63) SMN1; SMN2HTTRXFP1POLBMEN1
SCHEMBL3045782 0.79 SMN1; SMN2 (0.51) SMN1; SMN2HTTNTRK1GUSBPOLB
SCHEMBL3035200 0.79 SMN1; SMN2 (0.65) SMN1; SMN2HTTRXFP1GUSBRAB9A
SCHEMBL3031989 0.77 SMN1; SMN2 (0.65) SMN1; SMN2HTTRXFP1GUSBRAB9A
SCHEMBL4453414 0.76 MEN1 (0.66) SMN1; SMN2RAB9ANPC1POLBMEN1

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