SCHEMBL8672550

SCHEMBL8672550

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.56
▸ KMT2A Q03164 10/20 0.56
▸ USP2 O75604 6/20 0.56
▸ MAPT P10636 5/20 0.56
▸ LMNA P02545 3/20 0.56
▸ RGS12 O14924 2/20 0.56
▸ RECQL P46063 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ KEAP1 Q14145 5/20 0.54
▸ NFE2L2 Q16236 5/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ CYP1B1 Q16678 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ POLB P06746 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ CACNA1B Q00975 1/20 0.52
▸ APBA1 Q02410 1/20 0.52
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47

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
SCHEMBL8672555 0.85 MEN1 (0.54) MEN1KMT2AUSP2MAPTLMNA
SCHEMBL8664259 0.84 KDM4E (0.60) MEN1KMT2AUSP2MAPTLMNA
SCHEMBL8666679 0.81 HEXA (0.51) MEN1KMT2AMAPTKEAP1NFE2L2
SCHEMBL11256119 0.80 MEN1 (0.65) MEN1KMT2AUSP2MAPTLMNA
SCHEMBL8664254 0.80 HEXA (0.69) MEN1KMT2AMAPTCYP1B1ALDH1A1
SCHEMBL8669762 0.80 MEN1 (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8668319 0.77 HEXA (0.52) MEN1KMT2AMAPTRECQLCYP1B1
SCHEMBL17583825 0.77 MEN1 (0.64) MEN1KMT2AUSP2MAPTLMNA
SCHEMBL9006354 0.76 MEN1 (0.68) MEN1KMT2AUSP2MAPTLMNA
SCHEMBL16213415 0.76 HEXA (0.65) MEN1KMT2AUSP2MAPTLMNA

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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