SCHEMBL29953850

SCHEMBL29953850

O=C(O)/C=C/c1ccc(Br)cc1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 1/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 2/20 0.40
EIF2AK2 P19525 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL29957310 1.00 LMNA (0.41) LMNAPMP22NPSR1GFERGAA
SCHEMBL29952402 0.99 LMNA (0.41) LMNAPMP22NPSR1GFERGAA
SCHEMBL6103613 0.89 GAA (0.41) LMNAPMP22NPSR1GFERGAA
SCHEMBL6105716 0.89 GAA (0.41) LMNAPMP22NPSR1GFERGAA
SCHEMBL6104091 0.89 GAA (0.41) LMNAPMP22NPSR1GFERGAA
SCHEMBL6103607 0.89 GAA (0.41) LMNAPMP22NPSR1GFERGAA
SCHEMBL6105724 0.89 GAA (0.41) LMNAPMP22NPSR1GFERGAA
SCHEMBL6104095 0.89 GAA (0.41) LMNAPMP22NPSR1GFERGAA
SCHEMBL6103247 0.87 SMN1; SMN2 (0.41) LMNAPMP22NPSR1GFERGAA
SCHEMBL6103241 0.87 SMN1; SMN2 (0.41) LMNAPMP22NPSR1GFERGAA

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed