SCHEMBL29955046

SCHEMBL29955046

CC(=O)c1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 5/20 0.57
HPGD P15428 3/20 0.57
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.53
FOLH1 Q04609 1/20 0.51
HSD17B10 Q99714 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
GFER P55789 2/20 0.50
NR4A2 P43354 1/20 0.46
MAP2 P11137 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
SCHEMBL2339411 1.00 KDM4E (0.66) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL87871 0.87 KDM4E (0.65) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL16433366 0.86 KDM4E (0.66) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL8806930 0.82 KDM4E (0.57) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL721793 0.82 MAP2 (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL27487221 0.81 EGFR (0.63) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL8528482 0.81 NR4A2 (0.67) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL6487558 0.80 KDM4E (0.63) KDM4EMEN1KMT2AALDH1A1
SCHEMBL2399274 0.79 ALDH1A1 (0.63) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL29897041 0.79 ALDH1A1 (0.63) KDM4EMEN1KMT2AALDH1A1HPGD

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