SCHEMBL28361990

SCHEMBL28361990

O=C(NCCC1=CCCCCCC1)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
ALOX15 P16050 2/20 0.68
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 6/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
LMNA P02545 1/20 0.57
HPGD P15428 2/20 0.55
EPHX1 P07099 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL29650452 1.00 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL29650456 1.00 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL28361980 1.00 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL29650441 0.99 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL28361969 0.99 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL28361992 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL29650420 0.95 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL13210626 0.80 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL28362167 0.78 KMT2A (0.50) RAB9ANPC1SMN1; SMN2ALOX15KDM4E
SCHEMBL29650391 0.78 KMT2A (0.50) RAB9ANPC1SMN1; SMN2ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818630-B Synthesis method of conjugated (E) -3-cycloalkenyl acrylate derivative 西南大学 2022-06-10 CN claimed
CN-110818630-A Synthesis method of conjugated (E) -3-cycloalkenyl acrylate derivative 西南大学 2020-02-21 CN claimed
CN-110818630-B Synthesis method of conjugated (E) -3-cycloalkenyl acrylate derivative 西南大学 2022-06-10 CN disclosed
CN-110818630-A Synthesis method of conjugated (E) -3-cycloalkenyl acrylate derivative 西南大学 2020-02-21 CN disclosed