SCHEMBL27924971

SCHEMBL27924971

COc1ccc(Cn2ccc(C(=O)O)c(N)c2=O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.50
TP53 P04637 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4C Q9H3R0 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
KLKB1 P03952 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
SCHEMBL28069879 0.87 EGLN1 (0.51) EGLN1TP53HDAC3HDAC1HDAC6
SCHEMBL14957514 0.87 ALDH1A1 (0.47) EGLN1TP53HDAC3HDAC1HDAC6
SCHEMBL12503112 0.79 MAPT (0.48) EGLN1TP53HDAC3HDAC1HDAC6
SCHEMBL8175132 0.78 LMNA (0.56) EGLN1TP53HDAC3HDAC1HDAC6
SCHEMBL30575755 0.77 PDE10A (0.52) EGLN1TP53KDM4CMEN1KMT2A
SCHEMBL28152715 0.76 MEN1 (0.46) EGLN1TP53KDM4CMEN1KMT2A
SCHEMBL12503041 0.75 MAPT (0.51) EGLN1TP53HDAC3HDAC1HDAC6
SCHEMBL8331084 0.75 LMNA (0.57) EGLN1TP53HDAC3HDAC1HDAC6
SCHEMBL17801486 0.74 HDAC3 (0.59) EGLN1TP53HDAC3HDAC1HDAC6
SCHEMBL30095490 0.74 HDAC3 (0.59) EGLN1TP53HDAC3HDAC1HDAC6

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-103119043-A Fused heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL 2013-05-22 CN disclosed