SCHEMBL28073256

SCHEMBL28073256

COCC1c2ccccc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NAMPT P43490 2/20 0.43
MAPK1 P28482 1/20 0.41
UCHL1 P09936 1/20 0.39
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
OPRD1 P41143 1/20 0.39
PTPN1 P18031 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MTNR1B P49286 1/20 0.38
ACE P12821 1/20 0.38
IDO1 P14902 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL8273639 0.90 MEN1 (0.48) MEN1KMT2ANAMPTMAPK1UCHL1
SCHEMBL11929926 0.89 MTNR1B (0.47) MEN1KMT2AUCHL1PRMT5WDR77
SCHEMBL30550841 0.87 MEN1 (0.61) MEN1KMT2ANAMPTMAPK1UCHL1
SCHEMBL17001691 0.87 MEN1 (0.61) MEN1KMT2ANAMPTMAPK1UCHL1
SCHEMBL19056599 0.86 MEN1 (0.51) MEN1KMT2ANAMPTMAPK1UCHL1
SCHEMBL4857225 0.85 MEN1 (0.48) MEN1KMT2ANAMPTMAPK1OPRD1
SCHEMBL4858860 0.85 MEN1 (0.50) MEN1KMT2ANAMPTMAPK1UCHL1
SCHEMBL11929939 0.84 MEN1 (0.49) MEN1KMT2ANAMPTMAPK1PRMT5
SCHEMBL26793670 0.82 MEN1 (0.51) MEN1KMT2ANAMPTMAPK1UCHL1
SCHEMBL30581960 0.81 OPRD1 (0.52) MEN1KMT2ANAMPTMAPK1PRMT5

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-105814055-B As the condensed imidazole and pyrazole derivatives of TNF active regulators UCB生物制药私人有限公司 2017-05-31 CN disclosed
CN-105814055-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed