SCHEMBL29004445

SCHEMBL29004445

C=CC(=O)Nc1ccc(C)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.61
MAPT P10636 6/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 2/20 0.58
RAB9A P51151 10/20 0.55
NPC1 O15118 8/20 0.55
TGM2 P21980 1/20 0.54
KMT2A Q03164 4/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 2/20 0.52
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.47

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
SCHEMBL18256266 0.84 TGM2 (0.59) SMN1; SMN2MAPTTGM2KMT2AHPGD
SCHEMBL31162339 0.83 MEN1 (0.61) SMN1; SMN2MAPTTP53RAB9ANPC1
SCHEMBL5078477 0.83 MEN1 (0.61) SMN1; SMN2MAPTTP53RAB9ANPC1
SCHEMBL1703978 0.80 RAB9A (0.68) SMN1; SMN2MAPTTP53POLBRAB9A
SCHEMBL17524715 0.80 TGM2 (0.54) SMN1; SMN2MAPTTP53TGM2KMT2A
SCHEMBL15939027 0.80 TGM2 (0.54) SMN1; SMN2MAPTTP53NPC1TGM2
SCHEMBL25713831 0.80 TGM2 (0.54) SMN1; SMN2MAPTTP53POLBTGM2
SCHEMBL31162390 0.79 TGM2 (0.58) SMN1; SMN2MAPTPOLBRAB9ATGM2
SCHEMBL21894170 0.79 TGM2 (0.58) SMN1; SMN2MAPTPOLBRAB9ATGM2
SCHEMBL31435389 0.79 RAB9A (0.61) SMN1; SMN2MAPTTP53POLBRAB9A

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-116162039-B Synthesis method of visible light mediated butanediamide compound 河南师范大学 2025-02-07 CN disclosed
CN-116162039-A Synthesis method of visible light mediated butanediamide compound 河南师范大学 2023-05-26 CN disclosed