SCHEMBL29039348

SCHEMBL29039348

C=C(C#Cc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HSP90AA1 P07900 2/20 0.39
HTT P42858 2/20 0.39
MITF O75030 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL6680904 0.82 APP (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL17348262 0.80 HSP90AA1 (0.60) PARP1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL17336918 0.78 SMN1; SMN2 (0.39) C1SPARP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17336920 0.78 SMN1; SMN2 (0.39) C1SPARP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL19196709 0.78 SMN1; SMN2 (0.39) C1SPARP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15827905 0.74 APP (0.39) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15827915 0.72 GFER (0.45) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1744811 0.72 C1S (0.50) C1SPARP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8000068 0.72 APP (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29825848 0.72 APP (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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-116462710-A Synthesis method of diphenylphosphono-containing dienenitrile compound 安阳师范学院 2023-07-21 CN disclosed