SCHEMBL29953043

SCHEMBL29953043

Cc1ccc2c(C=O)c[nH]c2n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ADORA2A P29274 12/20 0.50
ADORA1 P30542 8/20 0.50
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
MEN1 O00255 1/20 0.44
CYP2A6 P11509 2/20 0.42
IMPDH2 P12268 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PIM3 Q86V86 1/20 0.41

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
SCHEMBL13132293 1.00 KMT2A (0.53) KMT2AADORA2AADORA1TRIM24TRIM33
SCHEMBL5263827 0.80 KMT2A (0.54) KMT2AADORA2AADORA1TRIM24TRIM33
SCHEMBL29952450 0.79 KMT2A (0.53) KMT2AADORA2AADORA1TRIM24TRIM33
SCHEMBL1714533 0.79 KMT2A (0.53) KMT2AADORA2AADORA1TRIM24TRIM33
SCHEMBL20470561 0.76 ADORA2A (0.50) KMT2AADORA2AADORA1MEN1KDM4E
SCHEMBL7922469 0.75 ADORA2A (0.53) KMT2AADORA2AADORA1MEN1KDM4E
SCHEMBL23726193 0.75 KMT2A (0.49) KMT2AADORA2AADORA1TRIM24TRIM33
SCHEMBL29955200 0.75 KMT2A (0.49) KMT2ATRIM24TRIM33CYP2A6IMPDH2
SCHEMBL14735522 0.75 KMT2A (0.49) KMT2ATRIM24TRIM33CYP2A6IMPDH2
SCHEMBL29958275 0.75 KMT2A (0.49) KMT2ATRIM24TRIM33CYP2A6IMPDH2

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