SCHEMBL29178161

SCHEMBL29178161

CC(=O)Nc1ccc(C(c2ccc(NC(C)=O)cc2)(c2ccc(NC(C)=O)cc2)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
NR1H4 Q96RI1 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
CA12 O43570 1/20 0.61
BRD4 O60885 1/20 0.61
NR1I2 O75469 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
MB P02144 1/20 0.61
CYP1A1 P04798 1/20 0.61
CA3 P07451 1/20 0.61
CYP3A4 P08684 1/20 0.61
RARG P13631 1/20 0.61
TSHR P16473 1/20 0.61

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
SCHEMBL785306 0.89 NR1H4 (0.66) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL861674 0.85 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL11940935 0.84 SMN1; SMN2 (0.61) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL669442 0.83 EPHX2 (0.70) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL16349508 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL9022659 0.81 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL23352874 0.81 HDAC3 (0.75) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL7296645 0.81 HDAC3 (0.75) SMN1; SMN2HTTKMT2AMEN1ALDH1A1
SCHEMBL31601105 0.80 SMN1; SMN2 (0.49) SMN1; SMN2HTTL3MBTL1KMT2AMEN1
SCHEMBL22178617 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HTTL3MBTL1KMT2AMEN1

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-117732278-A Desalination separation membrane and preparation method and application thereof 江南大学 2024-03-22 CN disclosed