SCHEMBL28120658

SCHEMBL28120658

O=C(n1cc(O)c2ccccc21)n1cc(O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 6/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MITF O75030 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.37
IDO1 P14902 1/20 0.37
NPC1 O15118 1/20 0.37
PAX8 Q06710 1/20 0.37
CREBBP Q92793 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BRPF1 P55201 1/20 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
SCHEMBL6123415 0.86 KDM4E (0.41) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL1333179 0.84 HTT (0.54) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL28512335 0.81 KDM4E (0.39) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL10842060 0.80 KMT2A (0.67) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL27617492 0.80 PKM (0.48) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL27887683 0.78 TFPI2 (0.51) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL28824689 0.76 KMT2A (0.50) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL21246906 0.76 L3MBTL1 (0.59) KMT2AMEN1KDM4ECREBBP
SCHEMBL9654009 0.71 IDO1 (0.42) KMT2AMEN1POLBKDM4EMAPT
SCHEMBL27721427 0.71 HTR2A (0.58)

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-106461658-A Assay for oral inflammation 高露洁-棕榄公司 2017-02-22 CN disclosed