SCHEMBL7425708

SCHEMBL7425708

O=C(c1ccc(-c2ccncc2)cc1)N1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.72
MKNK2 Q9HBH9 2/20 0.72
SIGMAR1 Q99720 1/20 0.60
CCNC P24863 7/20 0.57
CDK8 P49336 7/20 0.57
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LSS P48449 2/20 0.56
HPGD P15428 2/20 0.55
RIPK1 Q13546 1/20 0.54
MAPK14 Q16539 1/20 0.52
KCNH2 Q12809 1/20 0.52
MAPK1 P28482 1/20 0.50

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
SCHEMBL5273 0.92 SIGMAR1 (0.70) MKNK1MKNK2SIGMAR1HPGDRIPK1
Trifluoroacetic Acid SCHEMBL6199874 0.90 L3MBTL1 (0.62) MKNK1MKNK2SIGMAR1CCNCCDK8
Hydrochloric Acid SCHEMBL1597605 0.90 SIGMAR1 (0.68) MKNK1MKNK2SIGMAR1HPGDRIPK1
SCHEMBL8260488 0.90 SIGMAR1 (0.72) MKNK1MKNK2SIGMAR1CCNCCDK8
SCHEMBL8358137 0.84 SIGMAR1 (0.81) MKNK1MKNK2SIGMAR1L3MBTL1HPGD
SCHEMBL8934929 0.83 SIGMAR1 (0.64) MKNK1MKNK2SIGMAR1CCNCCDK8
SCHEMBL5266293 0.83 SIGMAR1 (0.80) MKNK1MKNK2SIGMAR1CCNCCDK8
Hydrochloric Acid SCHEMBL4763940 0.82 SIGMAR1 (0.77) MKNK1MKNK2SIGMAR1CCNCCDK8
SCHEMBL16574186 0.82 GABRD (0.66) MKNK1MKNK2SIGMAR1CCNCCDK8
SCHEMBL29800584 0.82 SIGMAR1 (0.62) MKNK1MKNK2SIGMAR1CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082321-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 EP disclosed
CN-1278793-A Sulfonyl derivatives DAIICHI SEIYAKU CO (JP) 2001-01-03 CN disclosed
WO-1999057113-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 WO disclosed