SCHEMBL16693290

SCHEMBL16693290

C=C(C)C(=O)OCCNC(=O)c1ccc(NC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
PKM P14618 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NAMPT P43490 1/20 0.43
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL16693227 0.84 LMNA (0.50) HDAC3HDAC1HDAC2ALDH1A1KMT2A
SCHEMBL21246818 0.84 NPC1 (0.56) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL24178814 0.82 HDAC1 (0.52) HDAC3HDAC1HDAC2ALDH1A1KMT2A
SCHEMBL14368851 0.82 NPC1 (0.55) HDAC3HDAC1HDAC2ALDH1A1KMT2A
SCHEMBL6417734 0.82 KMT2A (0.48) PKMALDH1A1KMT2AMEN1CYP1A2
SCHEMBL16693293 0.81 PKM (0.52) HDAC3HDAC1HDAC2PKMALDH1A1
Phosphoric Acid SCHEMBL7716499 0.81 SMN1; SMN2 (0.59) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL24420647 0.81 HPGD (0.64) HDAC3HDAC1HDAC2ALDH1A1KMT2A
SCHEMBL24788144 0.80 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL17447746 0.80 CA2 (0.47) PKMALDH1A1KMT2AMEN1CYP1A2

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
WO-2015064674-A1 METHOD FOR MANUFACTURING POLYMERIZABLE UV-ABSORBING DYE 興和株式会社 2015-05-07 WO disclosed