SCHEMBL8984898

SCHEMBL8984898

NCCC(N)(CCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O)CCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HPGD P15428 1/20 0.55
▸ MAPT P10636 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ ERCC1 P07992 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ FEN1 P39748 1/20 0.51
▸ ERCC4 Q92889 1/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ HEXB P07686 4/20 0.47
▸ HEXA P06865 3/20 0.47
▸ TYMS P04818 1/20 0.44
▸ KEAP1 Q14145 2/20 0.43
▸ NFE2L2 Q16236 2/20 0.43
▸ TLR9 Q9NR96 2/20 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
SCHEMBL27461130 0.85 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL8670032 0.81 HEXA (0.70) KDM4EALDH1A1MAPTPOLBHEXB
SCHEMBL9091826 0.81 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL12832289 0.81 HEXA (0.63) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL9093307 0.79 SIRT1 (0.60) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL11629372 0.78 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL8664264 0.78 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL7735555 0.77 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL17733959 0.77 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL17726925 0.77 ALDH1A1 (0.78) KDM4EALDH1A1LMNAHPGDMAPT

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
EP-0714387-A1 NEW BIS-NAPHTHALIMIDES FOR THE TREATMENT OF CANCER BASF AKTIENGESELLSCHAFT (DE) 1996-06-05 — — EP disclosed
WO-1995005365-A1 NEW BIS-NAPHTHALIMIDES FOR THE TREATMENT OF CANCER BASF AKTIENGESELLSCHAFT (DE) 1995-02-23 — — WO disclosed
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