SCHEMBL8200784

SCHEMBL8200784

O=C(O)CCCCCCCCCCN1C(=O)c2ccc3c4cccc5cccc(c6ccc(c2c36)C1=O)c54

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 8/20 0.57
HDAC3 O15379 5/20 0.57
HDAC1 Q13547 5/20 0.57
HDAC11 Q96DB2 5/20 0.57
HDAC8 Q9BY41 5/20 0.57
HDAC6 Q9UBN7 5/20 0.57
NCOR2 Q9Y618 5/20 0.57
HDAC4 P56524 3/20 0.57
HDAC7 Q8WUI4 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC10 Q969S8 3/20 0.57
HDAC9 Q9UKV0 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
LTA4H P09960 1/20 0.57
KDM4E B2RXH2 9/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 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
SCHEMBL22019037 0.91 SMN1; SMN2 (0.62) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL22473989 0.90 MEN1 (0.62) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL22018079 0.89 MEN1 (0.60) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL10018574 0.87 KMT2A (0.89) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL5376779 0.86 ALDH1A1 (0.68) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL17718739 0.84 ALDH1A1 (0.69) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL5375141 0.83 STAT3 (0.55) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL7649614 0.83 STAT3 (0.55) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL8165344 0.83 STAT3 (0.55) MEN1KMT2AALDH1A1HDAC3HDAC1
SCHEMBL8878406 0.83 STAT3 (0.55) MEN1KMT2AALDH1A1HDAC3HDAC1

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-6166210-A Perylene imide monocarboxylic acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-26 US disclosed