SCHEMBL29950876

SCHEMBL29950876

O=Cc1c(Cl)c(C=O)n(-c2ccccc2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GSK3A P49840 4/20 0.34
GSK3B P49841 4/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL29955023 0.83 KMT2A (0.49) MEN1KMT2AALDH1A1TDP1LMNA
SCHEMBL29954953 0.74 KDM4E (0.52) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL28165405 0.74 KMT2A (0.53) MEN1KMT2AALDH1A1TDP1LMNA
SCHEMBL2343158 0.74 KDM4E (0.52) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1144571 0.69 MAT2A (0.51) MEN1KMT2ALMNA
SCHEMBL11282910 0.69 KMT2A (0.51) MEN1KMT2AALDH1A1SMN1; SMN2GSK3A
SCHEMBL1150448 0.68 REN (0.39) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1150009 0.68 FEN1 (0.52) MEN1KMT2AALDH1A1MAPK1
SCHEMBL1150001 0.68 REN (0.39) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL29956626 0.68 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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