SCHEMBL9566474

SCHEMBL9566474

[CH2]C(=O)Nc1ccc(NC([CH2])=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PEPD P12955 1/20 0.44
CA12 O43570 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MB P02144 1/20 0.44
CYP1A1 P04798 1/20 0.44
CA3 P07451 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL2891738 0.89 MAPT (0.60) RAB9AL3MBTL1MAPTMEN1ALDH1A1
SCHEMBL96892 0.87 TDP1 (0.64) SMN1; SMN2RAB9AMAPTALDH1A1TDP1
SCHEMBL2085466 0.87 ALDH1A1 (0.61) SMN1; SMN2RAB9AMAPTHTTMEN1
SCHEMBL28060161 0.87 CA12 (0.48) CA12CA1CA2CA9EPHX1
SCHEMBL1002285 0.87 NPC1 (0.61) SMN1; SMN2RAB9AMAPTHTTMEN1
SCHEMBL96556 0.86 EPHX2 (0.64) SMN1; SMN2RAB9AMAPTALDH1A1KMT2A
SCHEMBL5422673 0.85 ALDH1A1 (0.58) SMN1; SMN2RAB9AL3MBTL1MAPTMEN1
SCHEMBL6631155 0.83 MEN1 (0.46) RAB9AMEN1KMT2ALMNANPC1
SCHEMBL1177104 0.83 PTPN1 (0.64) SMN1; SMN2RAB9AL3MBTL1MAPTHTT
SCHEMBL5417314 0.82 MDM2 (0.67) RAB9AL3MBTL1HTTMEN1ALDH1A1

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
JP-5287073-A None JP disclosed
JP-H05287073-A POLYMERIZABLE COMPOSITION TOKUYAMA SODA CO LTD 1993-11-02 JP disclosed