SCHEMBL9852647

SCHEMBL9852647

NN1C(=O)c2ccccc2Cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
KMT2A Q03164 7/20 0.49
CASP6 P55212 5/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
RNASEH1 O60930 1/20 0.49
GAA P10253 5/20 0.46
TLR9 Q9NR96 2/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
BLM P54132 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
PABPC1 P11940 1/20 0.45
HDAC3 O15379 1/20 0.45

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
SCHEMBL31720854 0.81 RNASEH1 (0.61) MAOAKMT2ACASP6CASP3SENP8
SCHEMBL9382466 0.81 RNASEH1 (0.61) MAOAKMT2ACASP6CASP3SENP8
SCHEMBL12320654 0.80 HPGD (0.42) MAOAKMT2AMEN1ALDH1A1MAPT
SCHEMBL14288783 0.78 TTR (0.53) MAOAKMT2ACASP6CASP3SENP8
SCHEMBL1462133 0.76 HPGD (0.55) KMT2ACASP6CASP3SENP8SENP7
SCHEMBL30642087 0.76 HPGD (0.55) KMT2ACASP6CASP3SENP8SENP7
SCHEMBL6300271 0.74 KMT2A (0.49) MAOAKMT2ACASP6CASP3SENP8
SCHEMBL14095571 0.74 KMT2A (0.49) MAOAKMT2ACASP6CASP3SENP8
Hydrochloric Acid SCHEMBL4417151 0.73 CASP6 (0.47) MAOAKMT2ACASP6CASP3SENP8
SCHEMBL2259762 0.71 CES1 (0.59) MAOACASP3GAAALDH1A1BCHE

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
EP-0408525-A2 Use in therapy of 10-amino-5,6-dihydro-11H-dibenzo(b,e)azepine-6,11-dione and derivatives as drugs for use in the treatment of urinary incontinence A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1991-01-16 EP disclosed