SCHEMBL29952730

SCHEMBL29952730

COc1ccc2c(C=O)c(C(=O)O)n(Cc3ccccc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
TP53 P04637 6/20 0.61
MEN1 O00255 4/20 0.59
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 2/20 0.59
POLB P06746 2/20 0.59
USP2 O75604 2/20 0.59
KDM4E B2RXH2 1/20 0.59
PLA2G10 O15496 1/20 0.57
PSMD14 O00487 1/20 0.57
PLA2G2A P14555 2/20 0.55
YWHAH Q04917 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EDNRB P24530 2/20 0.53
EDNRA P25101 2/20 0.53
CNR2 P34972 1/20 0.52

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
SCHEMBL2552008 0.94 TP53 (0.60) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL2555312 0.91 TP53 (0.59) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL15330019 0.90 TP53 (0.59) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL2557382 0.89 MAPT (0.68) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL2562869 0.87 KMT2A (0.74) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL2550735 0.87 TP53 (0.61) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL2552975 0.86 KMT2A (0.71) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL29954091 0.85 KDM4E (0.53) MAPTTP53MEN1ALDH1A1KMT2A
SCHEMBL4885587 0.84 PLA2G10 (0.64) MAPTTP53PLA2G10PLA2G2AYWHAH
SCHEMBL3720179 0.81 S1PR3 (0.54) MAPTTP53ALDH1A1KMT2ALMNA

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