SCHEMBL28665658

SCHEMBL28665658

[CH2]Cc1ccc(C(=O)NCc2ccccc2Br)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.65
EPHX2 P34913 3/20 0.58
HDAC6 Q9UBN7 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC2 Q92769 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TTR P02766 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
HPGD P15428 1/20 0.48
RIPK1 Q13546 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
SCHEMBL2905172 0.84 KMT2A (0.77) KMT2AEPHX2HDAC6HDAC1HDAC2
SCHEMBL28643598 0.82 ALDH1A1 (0.72) EPHX2ALDH1A1MAPTKDM4ELMNA
SCHEMBL5642848 0.82 KMT2A (0.68) KMT2AEPHX2HDAC1ALDH1A1TTR
SCHEMBL22987232 0.82 EPHX2 (0.67) KMT2AEPHX2HDAC6HDAC1HDAC2
SCHEMBL28648926 0.80 HDAC6 (0.70) EPHX2HDAC6HDAC1HDAC2HDAC8
SCHEMBL28648931 0.79 KMT2A (0.65) KMT2AEPHX2HDAC6HDAC1HDAC2
SCHEMBL28656782 0.77 EPHX2 (0.78) EPHX2
SCHEMBL29258097 0.75 NAMPT (0.76) KMT2A
SCHEMBL28710986 0.74 KMT2A (0.62) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL2456852 0.72 KMT2A (0.58) KMT2AEPHX2ALDH1A1MAPTLMNA

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-108026028-B Treatment of diabetes and metabolic syndrome with novel dual modulators of soluble epoxide hydrolase and peroxisome proliferator-activated receptors 威斯康星州医药大学股份有限公司 2021-11-09 CN disclosed