SCHEMBL31130438

SCHEMBL31130438

CCOC(=O)c1cc(-c2cccc(OCC)c2)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 3/20 0.50
THRB P10828 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
CYP1A2 P05177 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 2/20 0.44
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
FGFR3 P22607 2/20 0.43
HPGDS O60760 2/20 0.43
TTK P33981 1/20 0.42
MAPK8 P45983 1/20 0.42

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
SCHEMBL69490 0.89 JAK2 (0.55) KMT2ANPSR1L3MBTL1MAPTTHRB
SCHEMBL29114951 0.86 KMT2A (0.60) KMT2ANPSR1L3MBTL1MAPTGAA
SCHEMBL69842 0.84 KMT2A (0.64) KMT2ANPSR1L3MBTL1MAPTGAA
SCHEMBL30988464 0.84 KMT2A (0.57) KMT2ANPSR1L3MBTL1MAPTKDM4E
SCHEMBL29452680 0.84 KMT2A (0.57) KMT2ANPSR1L3MBTL1MAPTKDM4E
SCHEMBL27238319 0.83 KMT2A (0.49) KMT2ANPSR1L3MBTL1MAPTTHRB
SCHEMBL1413881 0.81 KMT2A (0.54) KMT2ANPSR1L3MBTL1MAPTGAA
SCHEMBL20600051 0.81 KMT2A (0.54) KMT2ANPSR1L3MBTL1THRBCYP1A2
SCHEMBL8290060 0.81 SMN1; SMN2 (0.56) KMT2ANPSR1L3MBTL1MAPTGAA
SCHEMBL2314799 0.79 HPGDS (0.66) KMT2ANPSR1L3MBTL1MAPTKDM4E

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
EP-4442318-A2 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC (US) 2024-10-09 EP disclosed