SCHEMBL22697354

SCHEMBL22697354

CNC(=O)c1ccccc1OCC(=O)N1CCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.50
PARP1 P09874 1/20 0.49
MEN1 O00255 1/20 0.49
PRMT5 O14744 1/20 0.48

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
SCHEMBL23254291 0.88 KMT2A (0.57) POLBKMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL17520340 0.82 SCD (0.56) POLBKMT2AMAPK1CYP2C9CYP2C19
SCHEMBL14027975 0.80 MEN1 (0.67) POLBKMT2AL3MBTL1TDP1TP53
SCHEMBL23254586 0.77 KMT2A (0.46) POLBKMT2ACYP2C9CYP2C19CYP1A2
SCHEMBL6166972 0.76 MEN1 (0.60) POLBKMT2AL3MBTL1TDP1TP53
SCHEMBL5431925 0.76 L3MBTL1 (0.57) POLBKMT2AL3MBTL1TDP1CYP2C9
SCHEMBL14578666 0.75 L3MBTL1 (0.89) POLBKMT2AL3MBTL1TDP1MAPK1
SCHEMBL19212900 0.75 ALDH1A1 (0.60) KMT2ATP53CYP2C9CYP2C19CYP1A2
SCHEMBL17979954 0.74 DRD2 (0.70) KMT2AL3MBTL1TDP1CYP2C19CYP1A2
SCHEMBL8723365 0.73 TSHR (0.83) POLBKMT2AL3MBTL1TDP1MAPK1

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
EP-3177292-B1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUND MEDICAL EDUCATION & RES (US) 2020-11-25 EP disclosed