SCHEMBL28870593

SCHEMBL28870593

O=C(NCc1cc[c]cc1)c1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.66
HDAC8 Q9BY41 2/20 0.66
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC1 Q13547 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
HPGD P15428 3/20 0.58
PLK1 P53350 1/20 0.57
NSD2 O96028 3/20 0.55
MMP3 P08254 1/20 0.54
KMT2A Q03164 1/20 0.51
APEX1 P27695 1/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
SENP1 Q9P0U3 1/20 0.49

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
SCHEMBL27903143 0.87 HDAC2 (0.73) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL6253635 0.83 HDAC2 (0.72) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL12476565 0.82 MAPK1 (0.67) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL20538849 0.81 KMT2A (0.78) HDAC7HPGDNSD2KMT2AAPEX1
SCHEMBL18227526 0.80 ALDH1A1 (0.58) HDAC1HDAC7HPGDKMT2AAPEX1
SCHEMBL28146180 0.80 MAPK1 (0.68) HPGDKMT2AAPEX1CHRNB2CHRNA4
SCHEMBL28239389 0.79 EGLN1 (0.60) HPGDNSD2KMT2A
SCHEMBL28042188 0.78 HDAC2 (0.69) HDAC2HDAC8HDAC3HDAC4HDAC1
SCHEMBL6805385 0.78 DEGS1 (0.69) HDAC8HDAC1PLK1MMP3KMT2A
SCHEMBL28145228 0.78 HTT (0.49) HPGDNSD2KMT2AAPEX1CHRNB2

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-109516937-A A kind of synthetic method of sulphoxide imine acylate 成都理工大学 2019-03-26 CN disclosed