SCHEMBL29953724

SCHEMBL29953724

Cc1c(O)cnc2[nH]cc(C=O)c12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
CYP2A6 P11509 1/20 0.32
ERN1 O75460 1/20 0.32
MAP3K7 O43318 8/20 0.32
TAB1 Q15750 8/20 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
SCHEMBL26097180 0.81 CYP2A6 (0.41) KMT2ATRIM24TRIM33CYP2A6
SCHEMBL29953555 0.80 KMT2A (0.36) KMT2AMAP3K7TAB1
SCHEMBL29956991 0.78 KMT2A (0.36) KMT2AERN1MAP3K7TAB1
SCHEMBL13040462 0.75 KMT2A (0.38) KMT2ATRIM24TRIM33
SCHEMBL29958099 0.73 KMT2A (0.51) KMT2ATRIM24TRIM33CYP2A6ERN1
SCHEMBL12655167 0.71 KMT2A (0.41) KMT2AMAP3K7TAB1
SCHEMBL24765630 0.71 LRRK2 (0.47) ERN1
SCHEMBL17843962 0.70 KMT2A (0.51) KMT2ATRIM24TRIM33CYP2A6
SCHEMBL1135021 0.69 AXL (0.37) KMT2ATRIM24TRIM33
SCHEMBL31318237 0.68 CYP2A6 (0.45) KMT2ACYP2A6ERN1

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