SCHEMBL23559727

SCHEMBL23559727

Cc1nn(PI)c2ccc(C(=O)O)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
SLC22A12 Q96S37 3/20 0.43
TDP1 Q9NUW8 1/20 0.41
HCAR3 P49019 5/20 0.40
TBXAS1 P24557 1/20 0.40
HPGD P15428 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
HSD17B10 Q99714 2/20 0.39
THRB P10828 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL25015127 0.87 KDM4E (0.41) KDM4EALDH1A1HSD17B10
SCHEMBL30040739 0.78 HCAR3 (0.55) KDM4ESLC22A12TDP1HCAR3TBXAS1
SCHEMBL23535727 0.78 HCAR3 (0.55) KDM4ESLC22A12TDP1HCAR3TBXAS1
SCHEMBL13516579 0.76 TDP1 (0.46) KDM4ESLC22A12TDP1HCAR3TBXAS1
SCHEMBL20176288 0.75 MAPK8 (0.39) ALDH1A1HTT
SCHEMBL15660855 0.75 ADORA2A (0.56) KDM4ESLC22A12HCAR3HPGDALDH1A1
SCHEMBL15970806 0.75 HCAR3 (0.55) KDM4ESLC22A12TDP1HCAR3HPGD
SCHEMBL23535775 0.73 HCAR3 (0.43) KDM4ESLC22A12TDP1HCAR3HPGD
SCHEMBL730542 0.73 HTT (0.58) KDM4ESLC22A12HPGDALDH1A1HTT
SCHEMBL30040207 0.73 HCAR3 (0.43) KDM4ESLC22A12TDP1HCAR3HPGD

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
WO-2021127166-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY (US) 2021-06-24 WO disclosed