SCHEMBL2409382

SCHEMBL2409382

CC(C)(C)OC(=O)NCCc1ncc(C(=O)OCc2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
IDO1 P14902 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
HTT P42858 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
P2RY1 P47900 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL18764720 0.85 CDC7 (0.43) MAPTCYP3A4NPSR1HTT
SCHEMBL2414636 0.83 HTT (0.41) CYP3A4MEN1KMT2ANPSR1HTT
SCHEMBL2408680 0.82 HTT (0.41) MAPTIDO1MEN1KMT2ANPSR1
SCHEMBL11677458 0.80 L3MBTL1 (0.48) MAPTL3MBTL1POLBMAPK1CYP3A4
SCHEMBL26524314 0.79 SMN1; SMN2 (0.52) MAPTL3MBTL1POLBMAPK1CYP3A4
SCHEMBL2407133 0.77 SYK (0.46) SYKMAPTL3MBTL1POLBMAPK1
Hydrochloric Acid SCHEMBL2410281 0.76 TDP1 (0.46) MAPTL3MBTL1POLBMAPK1KMT2A
SCHEMBL13938297 0.76 HTT (0.65) SYKMAPTL3MBTL1IDO1POLB
SCHEMBL13480435 0.76 MAPT (0.65) SYKMAPTL3MBTL1IDO1POLB
SCHEMBL15202883 0.75 SYK (0.64) SYKMAPTL3MBTL1IDO1SMN1; SMN2

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
WO-2011106627-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed