SCHEMBL28230697

SCHEMBL28230697

O=Nc1ccc2c3c(cccc13)C(=O)N(N1CCc3ccccc31)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.38
MEN1 O00255 9/20 0.38
MAPT P10636 7/20 0.38
HTT P42858 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TLR9 Q9NR96 1/20 0.38
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 3/20 0.35
CASP1 P29466 2/20 0.35
HBB P68871 2/20 0.35
MAPK1 P28482 2/20 0.34
AVPR1A P37288 1/20 0.34
USP2 O75604 4/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33

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
SCHEMBL28068349 0.84 KMT2A (0.51) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL28231670 0.80 MEN1 (0.55) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL20267337 0.80 ALDH1A1 (0.54) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL10100516 0.74 SMN1; SMN2 (0.45) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL28175173 0.71 KMT2A (0.64) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL28173917 0.70 KEAP1 (0.50) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL29466252 0.70 CES1 (0.47) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL21336041 0.66 PKM (0.55) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28123768 0.66 ALDH1A1 (0.52) KMT2AMEN1MAPTHTTL3MBTL1
SCHEMBL30530510 0.65 MEN1 (0.44) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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-105541855-B A kind of 1,8- naphthalimide compounds being bonded with spiro-pyrans and preparation method and application 内蒙古自治区科学技术研究院有限责任公司东部分院 2018-08-07 CN claimed
CN-105541855-B A kind of 1,8- naphthalimide compounds being bonded with spiro-pyrans and preparation method and application 内蒙古自治区科学技术研究院有限责任公司东部分院 2018-08-07 CN disclosed