SCHEMBL8819860

SCHEMBL8819860

C#CCNC(=O)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
MAPT P10636 1/20 0.63
LMNA P02545 1/20 0.62
MEN1 O00255 4/20 0.62
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
POLB P06746 2/20 0.59
L3MBTL1 Q9Y468 5/20 0.57
PABPC1 P11940 1/20 0.57
EIF4H Q15056 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL9473464 0.80 ALDH1A1 (0.58) KMT2AMAPTLMNAMEN1HDAC3
Hydrochloric Acid SCHEMBL9474147 0.79 ALDH1A1 (0.57) KMT2AMAPTLMNAMEN1HDAC3
SCHEMBL14249309 0.77 HDAC3 (0.71) KMT2AMAPTLMNAMEN1HDAC3
SCHEMBL4669452 0.77 LMNA (1.00) KMT2AMAPTLMNAMEN1HDAC3
SCHEMBL2843958 0.75 HDAC4 (1.00) KMT2AMAPTLMNAMEN1HDAC3
SCHEMBL217745 0.74 HDAC3 (0.71) KMT2AMAPTLMNAMEN1HDAC3
SCHEMBL8819216 0.74 KMT2A (0.60) KMT2AMAPTLMNAMEN1HDAC3
SCHEMBL6695263 0.72 HDAC3 (0.69) KMT2AMAPTLMNAMEN1HDAC3
SCHEMBL12513866 0.72 KMT2A (0.67) KMT2AMAPTLMNAMEN1HDAC3
SCHEMBL6867060 0.72 KMT2A (0.62) KMT2AMAPTLMNAMEN1HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997046549-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE XANTHENE DERIVATIVES NOVARTIS AG (CH) 1997-12-11 WO claimed
WO-1997046549-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE XANTHENE DERIVATIVES NOVARTIS AG (CH) 1997-12-11 WO disclosed