SCHEMBL8669764

SCHEMBL8669764

NCCC(N)CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 0.60
▸ KMT2A Q03164 14/20 0.60
▸ POLB P06746 7/20 0.60
▸ NPSR1 Q6W5P4 5/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ CCR6 P51684 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ PABPC1 P11940 2/20 0.60
▸ RAB9A P51151 5/20 0.57
▸ NPC1 O15118 7/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC11 Q96DB2 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ NCOR2 Q9Y618 1/20 0.55
▸ MAPT P10636 6/20 0.53
▸ HTT P42858 5/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53

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
SCHEMBL14067864 0.88 MEN1 (0.68) MEN1KMT2APOLBNPSR1SMN1; SMN2
SCHEMBL8669762 0.87 MEN1 (0.61) MEN1KMT2APOLBNPSR1SMN1; SMN2
SCHEMBL8664264 0.82 KDM4E (0.58) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL8672555 0.82 MEN1 (0.54) MEN1KMT2APOLBNPSR1SMN1; SMN2
SCHEMBL29903439 0.80 MEN1 (0.68) MEN1KMT2APOLBNPSR1SMN1; SMN2
SCHEMBL10261656 0.80 MEN1 (0.68) MEN1KMT2APOLBNPSR1SMN1; SMN2
SCHEMBL8670977 0.79 FTO (0.63) MEN1KMT2APOLBPABPC1RAB9A
SCHEMBL8031989 0.79 HEXA (0.69) MEN1KMT2APOLBNPSR1SMN1; SMN2
SCHEMBL14560563 0.78 MEN1 (0.76) MEN1KMT2APOLBNPSR1SMN1; SMN2
SCHEMBL10018568 0.77 MEN1 (0.68) MEN1KMT2APOLBNPSR1SMN1; 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 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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