SCHEMBL29952313

SCHEMBL29952313

O=Cc1cccc(OC(=O)Nc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
BCHE P06276 3/20 0.59
ACHE P22303 2/20 0.59
RAD51 Q06609 1/20 0.59
CYP1A2 P05177 1/20 0.55
ALDH1A1 P00352 6/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
FAAH O00519 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
THRB P10828 1/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL2270518 1.00 KMT2A (0.64) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL10062253 0.91 CYP1A2 (0.62) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL12655119 0.85 KMT2A (0.78) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL6204732 0.83 RAD51 (0.79) KMT2ARAD51ALDH1A1MAPTGAA
SCHEMBL7973772 0.83 RAD51 (0.69) KMT2ABCHEACHERAD51CYP1A2
Phenyl Phenylcarbamate SCHEMBL272994 0.80 ALDH1A1 (0.76) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL3302167 0.80 KMT2A (0.69) KMT2ABCHEACHERAD51CYP1A2
SCHEMBL31061553 0.80 KMT2A (0.69) KMT2ABCHEACHECYP1A2ALDH1A1
SCHEMBL20958113 0.79 SRC (0.56) KMT2AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL8048626 0.79 CYP1A2 (0.76) KMT2ABCHEACHERAD51CYP1A2

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