SCHEMBL13637485

SCHEMBL13637485

O=CC(=O)C1Cc2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACHE P22303 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.42
METAP1 P53582 4/20 0.41
PTGS2 P35354 1/20 0.40
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
CYP19A1 P11511 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL30702212 0.80 MAPT (0.56) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL3948845 0.80 MAPT (0.56) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL856747 0.79 ACHE (0.56) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL5311960 0.79 KMT2A (0.55) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL23618751 0.77 MAPT (0.70) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL1000380 0.75 ACHE (0.51) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL19836626 0.75 ALDH1A1 (0.54) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL6116289 0.75 METAP1 (0.55) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL29476747 0.75 ACHE (0.51) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL28699476 0.75 KDM4E (0.51) KDM4EMAPTMEN1KMT2AL3MBTL1

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-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed