SCHEMBL27768178

SCHEMBL27768178

N=C(N)Nc1nc(-c2ccc3c(c2)CCN3C2(C=O)CC2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
RAB9A P51151 10/20 0.48
ALDH1A1 P00352 9/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
NPC1 O15118 9/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP3A4 P08684 2/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 3/20 0.43
USP2 O75604 2/20 0.42
KLK7 P49862 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 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
SCHEMBL27768288 0.81 ALDH1A1 (0.46) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3609848 0.79 RAB9A (0.59) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3604832 0.78 MAPT (0.78) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3602577 0.76 KLK7 (0.69) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3603474 0.76 RAB9A (0.71) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3607158 0.76 RAB9A (0.75) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3604856 0.72 MAPT (0.52) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL10663004 0.71 MAPT (0.66) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3610538 0.70 ALDH1A1 (0.54) MAPTRAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL3598355 0.69 ALDH1A1 (0.69) MAPTRAB9AALDH1A1SMN1; SMN2NPC1

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
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN claimed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed