SCHEMBL28824689

SCHEMBL28824689

CNOC(=O)n1cc(O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NR4A2 P43354 2/20 0.39
POLB P06746 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN7 P35236 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
TSHR P16473 2/20 0.36

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
SCHEMBL10842060 0.85 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL21246906 0.78 L3MBTL1 (0.59) KMT2AMEN1KDM4EL3MBTL1CREBBP
SCHEMBL6123415 0.78 KDM4E (0.41) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL1333179 0.76 HTT (0.54) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28120658 0.76 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL28455877 0.73 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL27617492 0.72 PKM (0.48) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL28512335 0.70 KDM4E (0.39) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL8076272 0.69 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4ETHRB
SCHEMBL8076273 0.69 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4ETHRB

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
CN-105189505-B Tricyclic gyrase inhibitors as antibacterial agents 默克夏普&多梅有限公司 2019-03-22 CN disclosed
CN-105189505-A Tricyclic gyrase inhibitors as antibacterial agents TRIUS THERAPEUTICS INC 2015-12-23 CN disclosed