SCHEMBL27768262

SCHEMBL27768262

N=C(N)Nc1nc(-c2ccc(CN)c(N)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.43
HSPD1 P10809 1/20 0.43
HSPE1 P61604 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALOX5 P09917 2/20 0.40
VCP P55072 1/20 0.40
RRM1 P23921 1/20 0.40
RRM2B Q7LG56 1/20 0.40
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39

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
SCHEMBL3610888 0.82 ABL1 (0.54) ABL1HSPD1HSPE1MEN1KMT2A
SCHEMBL3599324 0.82 ABL1 (0.57) ABL1HSPD1HSPE1MEN1KMT2A
SCHEMBL3607108 0.82 ABL1 (0.49) ABL1HSPD1HSPE1MEN1KMT2A
SCHEMBL3602906 0.81 MEN1 (0.58) MEN1KMT2AALDH1A1ALOX15MAPK1
SCHEMBL27768308 0.80 AOC3 (0.50) ABL1MEN1KMT2AALDH1A1ALOX15
SCHEMBL3604738 0.79 MEN1 (0.61) MEN1KMT2AALDH1A1ALOX15MAPK1
SCHEMBL2395281 0.79 ATP4A (0.49) ABL1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL3604799 0.78 ALOX5 (0.61) ABL1HSPD1HSPE1MEN1KMT2A
SCHEMBL3597550 0.78 RRM1 (0.64) ABL1HSPD1HSPE1MEN1KMT2A
SCHEMBL2393684 0.76 HDAC3 (0.59) ABL1HSPD1HSPE1MEN1KMT2A

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