SCHEMBL8664259

SCHEMBL8664259

NCC(CN)CCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HPGD P15428 1/20 0.57
▸ KEAP1 Q14145 2/20 0.54
▸ NFE2L2 Q16236 2/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ MAPT P10636 3/20 0.54
▸ POLB P06746 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ ERCC1 P07992 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ FEN1 P39748 1/20 0.54
▸ ERCC4 Q92889 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TYMS P04818 1/20 0.47
▸ HEXA P06865 3/20 0.44
▸ HEXB P07686 3/20 0.44

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) KDM4EALDH1A1LMNAHPGDKEAP1
SCHEMBL8664264 0.85 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDKEAP1
SCHEMBL8672550 0.84 MEN1 (0.56) KDM4EALDH1A1LMNAKEAP1NFE2L2
SCHEMBL7732419 0.84 KEAP1 (0.71) KDM4EALDH1A1LMNAHPGDKEAP1
SCHEMBL11629372 0.80 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDKEAP1
SCHEMBL8664254 0.80 HEXA (0.69) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL8669762 0.80 MEN1 (0.61) KDM4EALDH1A1LMNAHPGDKEAP1
SCHEMBL12832289 0.80 HEXA (0.63) KDM4EALDH1A1LMNAHPGDKEAP1
SCHEMBL7735555 0.79 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDKEAP1
SCHEMBL17726925 0.79 ALDH1A1 (0.78) KDM4EALDH1A1LMNAHPGDKEAP1

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-5789418-A Bis-naphthalimides for the treatment of cancer BASF AKTIENGESELLSCHAFT (DE) 1998-08-04 — — US disclosed
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