SCHEMBL28891745

SCHEMBL28891745

O=C(/C=C\c1cccc2ccccc12)NCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
MMP1 P03956 4/20 0.63
MMP2 P08253 4/20 0.63
MMP9 P14780 4/20 0.63
ALDH1A1 P00352 6/20 0.58
LMNA P02545 3/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PLK1 P53350 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
GSK3B P49841 1/20 0.51
NPC1 O15118 2/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL3825273 1.00 HDAC8 (0.66) HDAC8HDAC6MMP1MMP2MMP9
SCHEMBL1913878 0.81 HDAC8 (0.64) HDAC8HDAC6ALDH1A1LMNACYP2D6
SCHEMBL13835239 0.81 HDAC8 (0.64) HDAC8HDAC6ALDH1A1LMNACYP2D6
SCHEMBL3937185 0.81 HPGD (0.74) HDAC8HDAC6MMP1MMP2MMP9
SCHEMBL28891950 0.81 HPGD (0.74) HDAC8HDAC6MMP1MMP2MMP9
SCHEMBL14106948 0.80 HDAC8 (1.00) HDAC8HDAC6ALDH1A1CYP2D6KDM4E
SCHEMBL14875223 0.79 HDAC8 (0.70) HDAC8HDAC6ALDH1A1CYP2D6KDM4E
SCHEMBL14875220 0.79 HDAC8 (0.70) HDAC8HDAC6ALDH1A1CYP2D6KDM4E
SCHEMBL5158355 0.79 ALDH1A1 (0.89) MMP1MMP2MMP9ALDH1A1LMNA
SCHEMBL10336384 0.79 ALDH1A1 (0.89) MMP1MMP2MMP9ALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197037-B Preparation method of acrylamide and triazole-enamide alternating copolymer 大连理工大学 2023-11-28 CN disclosed
CN-115197037-A Preparation method of acrylamide and triazole-enamide alternating copolymer 大连理工大学 2022-10-18 CN disclosed