SCHEMBL3945217

SCHEMBL3945217

CCC(=O)NC1c2ccccc2Oc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.51
USP2 O75604 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTT P42858 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL31688919 0.82 ATM (0.49) KMT2AMEN1USP2L3MBTL1PKM
Bromide SCHEMBL29353683 0.81 KMT2A (0.50) KMT2AMEN1USP2L3MBTL1PKM
SCHEMBL4388210 0.81 KMT2A (0.56) KMT2AMEN1USP2L3MBTL1PKM
SCHEMBL2893619 0.80 KMT2A (0.55) KMT2AMEN1USP2MAPTHTT
SCHEMBL23633289 0.80 KMT2A (0.63) KMT2AMEN1USP2L3MBTL1PKM
SCHEMBL31688992 0.78 ATM (0.45) KMT2AMEN1USP2MAPTHDAC3
SCHEMBL27819399 0.78 KMT2A (0.78) KMT2AMEN1USP2L3MBTL1HTT
SCHEMBL29365092 0.77 ATM (0.59) KMT2AMEN1USP2MAPTHTT
SCHEMBL2893865 0.77 ATM (0.59) KMT2AMEN1USP2MAPTHTT
SCHEMBL9172897 0.77 KMT2A (0.52) KMT2AMEN1USP2L3MBTL1PKM

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
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP claimed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO claimed