SCHEMBL28780920

SCHEMBL28780920

C=CC(=O)Oc1cc2c(N)cccc2cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TDP2 O95551 2/20 0.41
▸ CASP6 P55212 2/20 0.41
▸ SAE1 Q9UBE0 2/20 0.41
▸ UBA2 Q9UBT2 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PLAU P00749 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ TYMS P04818 1/20 0.39
▸ THRB P10828 2/20 0.35

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
SCHEMBL13888391 0.81 GAA (0.41) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL27788213 0.76 TYMS (0.44) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL27766625 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL27788241 0.76 TYMS (0.47) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL16641128 0.76 TYMS (0.41) ALDH1A1KDM4EKMT2AMEN1MAPT
Acrylic Acid Methyl Ester SCHEMBL27647541 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL27766457 0.75 NCEH1 (0.46) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3291662 0.74 THRB (0.49) ALDH1A1KDM4EMAPTTDP1TYMS
SCHEMBL561617 0.74 TYMS (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL27788191 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AMEN1MAPT

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
CN-101617251-A Blooming SUMITOMO CHEMICAL CO 2009-12-30 — — CN disclosed
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