SCHEMBL7977903

SCHEMBL7977903

O=C(Nc1nccs1)c1nc(-c2ccc(CCN3CCOCC3)cc2)[nH]c1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
ABCB1 P08183 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL7991996 0.93 AURKA (0.56) AURKAKMT2AMEN1MAPTKDM4E
SCHEMBL7989458 0.87 LMNA (0.48) AURKAKMT2AMEN1MAPTKDM4E
SCHEMBL7988160 0.84 MEN1 (0.51) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL7991912 0.84 MEN1 (0.51) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL7978042 0.83 LMNA (0.58) AURKAKMT2AMEN1MAPTKDM4E
SCHEMBL7990144 0.83 MEN1 (0.53) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL7978170 0.82 MEN1 (0.52) KMT2AMEN1MAPTKDM4ENPC1
SCHEMBL7989738 0.82 PARP1 (0.45) AURKAKMT2AMAPTALDH1A1ABCB1
SCHEMBL7988225 0.81 FGFR1 (0.54) AURKAKMT2AMEN1MAPTKDM4E
SCHEMBL7988617 0.81 MEN1 (0.51) KMT2AMEN1MAPTKDM4ENPC1

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