SCHEMBL19976423

SCHEMBL19976423

c1ccc([C@@H]2OC[C@H]3OC[C@H]4O[C@H]4[C@@H]3O2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.37
ATM Q13315 2/20 0.37
MITF O75030 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL769362 1.00 KMT2A (0.56) KMT2AMEN1L3MBTL1MAPTCYP3A4
SCHEMBL2692621 1.00 KMT2A (0.56) KMT2AMEN1L3MBTL1MAPTCYP3A4
SCHEMBL12754596 1.00 KMT2A (0.56) KMT2AMEN1L3MBTL1MAPTCYP3A4
SCHEMBL200621 1.00 KMT2A (0.56) KMT2AMEN1L3MBTL1MAPTCYP3A4
SCHEMBL3486991 1.00 KMT2A (0.56) KMT2AMEN1L3MBTL1MAPTCYP3A4
SCHEMBL10075962 1.00 KMT2A (0.56) KMT2AMEN1L3MBTL1MAPTCYP3A4
SCHEMBL20747758 0.91 KMT2A (0.57) KMT2AMEN1L3MBTL1MAPTCYP3A4
SCHEMBL468538 0.91 KMT2A (0.57) KMT2AMEN1L3MBTL1MAPTCYP3A4
SCHEMBL1294423 0.89 MEN1 (0.52) KMT2AMEN1L3MBTL1MAPTCYP3A4
SCHEMBL15508101 0.84 KMT2A (0.56) KMT2AMEN1L3MBTL1MAPTCYP3A4

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
US-9919055-B2 Sugar-linker-drug conjugates ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-20 US disclosed