SCHEMBL27768248

SCHEMBL27768248

N=C(N)Nc1nc(-c2ccc(CCc3ccccc3)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
ELOVL1 Q9BW60 1/20 0.55
ROCK1 Q13464 3/20 0.54
ROCK2 O75116 2/20 0.54
AOC3 Q16853 2/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
PRKACA P17612 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
LTA4H P09960 1/20 0.49

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
SCHEMBL3613607 0.92 LTA4H (0.59) ATP4AATP4BELOVL1ROCK1ROCK2
SCHEMBL3598628 0.88 MAPT (0.58) ELOVL1KDM4EHTTNPC1RAB9A
SCHEMBL3603436 0.87 MEN1 (0.61) ELOVL1GAAHTTNPC1RAB9A
Bromide SCHEMBL7330009 0.86 MEN1 (0.59) ELOVL1KDM4EGAAHTTNPC1
SCHEMBL27768308 0.85 AOC3 (0.50) ATP4AATP4BELOVL1ROCK1ROCK2
SCHEMBL2380037 0.82 RAB9A (0.61) ATP4AATP4BROCK1ROCK2KDM4E
SCHEMBL3607861 0.81 ABL1 (0.47) ATP4AATP4BELOVL1ROCK1ROCK2
SCHEMBL4330706 0.81 SCD (0.70) ROCK1KDM4EGAAHTTNPC1
SCHEMBL3604799 0.80 ALOX5 (0.61) ATP4AATP4BROCK1ROCK2AOC3
SCHEMBL3594785 0.80 MAPT (0.65) ATP4AATP4BGAAHTTNPC1

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