SCHEMBL29956595

SCHEMBL29956595

COc1ccc2cc(C=O)c(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.51
ALDH1A1 P00352 8/20 0.51
MAPT P10636 3/20 0.51
CA2 P00918 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 7/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PTGS2 P35354 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT3 P36888 1/20 0.47
TSHR P16473 3/20 0.46
ERN1 O75460 1/20 0.46
TRIM24 O15164 1/20 0.46

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
SCHEMBL1039269 1.00 KDM4E (0.51) KDM4EALDH1A1MAPTCA2CYP1A2
SCHEMBL2731348 0.88 KDM4E (0.58) KDM4EALDH1A1MAPTCA2CYP1A2
SCHEMBL29951789 0.84 HSD17B10 (0.59) KDM4EALDH1A1MAPTCYP1A2HSD17B10
SCHEMBL13849761 0.81 FLT3 (0.43) KDM4EALDH1A1MAPTCYP1A2LMNA
SCHEMBL29956508 0.79 CA2 (0.54) KDM4EALDH1A1MAPTCA2CYP1A2
SCHEMBL19448889 0.79 DAO (0.60) KDM4EALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL433980 0.79 BRD4 (0.56) KDM4EALDH1A1MAPTCA2CYP1A2
SCHEMBL5828348 0.79 CA2 (0.54) KDM4EALDH1A1MAPTCA2CYP1A2
SCHEMBL3846232 0.78 KDM4E (0.56) KDM4EALDH1A1MAPTCYP1A2HSD17B10
SCHEMBL4377723 0.78 CA2 (0.53) KDM4EALDH1A1MAPTCA2CYP1A2

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