SCHEMBL28020740

SCHEMBL28020740

O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
POLB P06746 4/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
KDM4E B2RXH2 4/20 0.60
HTT P42858 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.57
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL28820179 0.90 MEN1 (0.52) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL28020698 0.86 ALDH1A1 (0.65) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL28820180 0.85 MEN1 (0.60) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL28020308 0.84 PTGDR2 (0.50) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL28020357 0.79 BCHE (0.68) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL25179157 0.78 GAA (0.71) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL28020363 0.78 ALDH1A1 (0.58) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL15757807 0.78 KMT2A (0.78) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL19511969 0.77 ALDH1A1 (0.60) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6782525 0.76 ALDH1A1 (0.55) MEN1KMT2APOLBALDH1A1HPGD

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
CN-102775381-B Substituted hydrazide compound, and its preparation method, medicinal compositions and application SHANGHAI INST MATERIA MEDICA 2015-05-20 CN disclosed