SCHEMBL27760232

SCHEMBL27760232

CN(C(=O)c1ccc(OB(O)O)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
NR1H3 Q13133 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOA P21397 1/20 0.50
PDE10A Q9Y233 1/20 0.50
PLAU P00749 1/20 0.50
HSD17B1 P14061 3/20 0.49
HSD17B2 P37059 3/20 0.49
HPGD P15428 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
ALDH1A1 P00352 1/20 0.47
APP P05067 1/20 0.46
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9001653 0.83 KMT2A (0.75) KDM4EKMT2AHTTNR1H3EGFR
SCHEMBL529976 0.82 KDM4E (0.71) KDM4EKMT2AHTTNR1H3EGFR
SCHEMBL27877391 0.80 SMN1; SMN2 (0.66) KDM4EHTTEGFRRAB9ASMN1; SMN2
SCHEMBL493114 0.79 KMT2A (0.75) KDM4EKMT2AHTTNR1H3EGFR
SCHEMBL177749 0.79 KMT2A (0.60) KDM4EKMT2AHTTNR1H3EGFR
SCHEMBL28867918 0.78 KMT2A (0.64) KDM4EKMT2AHTTNR1H3EGFR
SCHEMBL9567794 0.78 KMT2A (0.68) KDM4EKMT2AHTTNR1H3EGFR
SCHEMBL2469395 0.76 KMT2A (0.66) KDM4EKMT2AHTTNR1H3EGFR
SCHEMBL257767 0.76 KMT2A (0.66) KDM4EKMT2AHTTNR1H3EGFR
SCHEMBL22575409 0.76 HTT (0.70) KDM4EKMT2AHTTNR1H3EGFR

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-104230971-B Boric acid and ester as inhibitors of fatty amide hydrolase 英菲尼提制药公司 2017-11-24 CN disclosed
CN-101563089-A Boronic acids and esters as inhibitors of fatty amide hydrolase INFINITY DISCOVERY INC (US) 2009-10-21 CN disclosed