SCHEMBL8674619

SCHEMBL8674619

Cc1ccc2c3c(ccc(C)c13)C(=O)N(CCC(N)CCN)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 7/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ HEXA P06865 3/20 0.41
▸ HEXB P07686 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ STAT3 P40763 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL8674616 0.82 TERT (0.45) TERTKEAP1NFE2L2TLR9HEXA
SCHEMBL8670400 0.81 HEXA (0.53) KEAP1NFE2L2TLR9HEXAHEXB
SCHEMBL8031989 0.78 HEXA (0.69) HEXAHEXBKDM4EMEN1ALDH1A1
SCHEMBL8664264 0.75 KDM4E (0.58) KEAP1NFE2L2TLR9HEXAHEXB
SCHEMBL8672555 0.75 MEN1 (0.54) KEAP1NFE2L2TLR9HEXAHEXB
SCHEMBL8669764 0.72 MEN1 (0.60) KEAP1NFE2L2TLR9HEXAHEXB
SCHEMBL8670307 0.71 CYP2D6 (0.61) KEAP1NFE2L2TLR9HEXAHEXB
SCHEMBL7614758 0.71 GLS (0.55) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL8671682 0.70 HEXA (0.71) HEXAHEXBKDM4EMEN1ALDH1A1
SCHEMBL8668325 0.70 HEXA (0.53) HEXAHEXBKDM4EMEN1ALDH1A1

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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