SCHEMBL7991996

SCHEMBL7991996

O=C(Nc1nccs1)c1nc(-c2ccc(CN3CCOCC3)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.56
JAK2 O60674 2/20 0.49
JAK3 P52333 2/20 0.49
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL7977903 0.93 AURKA (0.49) AURKAJAK2JAK3KMT2AMEN1
SCHEMBL7989458 0.89 LMNA (0.48) AURKAKMT2AMEN1MAPTNPC1
SCHEMBL7990144 0.85 MEN1 (0.53) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7978170 0.84 MEN1 (0.52) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7977735 0.83 LMNA (0.50) AURKAKMT2AMEN1MAPTNPC1
SCHEMBL7988160 0.83 MEN1 (0.51) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7991552 0.83 LMNA (0.43) AURKAJAK2JAK3KMT2AMEN1
SCHEMBL7977964 0.82 LMNA (0.49) AURKAKMT2AMEN1MAPTNPC1
SCHEMBL7991912 0.82 MEN1 (0.51) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL7988225 0.82 FGFR1 (0.54) AURKAKMT2AMEN1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed