SCHEMBL11548388

SCHEMBL11548388

CCC(=O)NN(C)CCN(C)NC(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP2C9 P11712 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
ALDH1A1 P00352 2/20 0.32
FFAR3 O14843 1/20 0.32
DNM1 Q05193 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
CCR6 P51684 1/20 0.31
MCL1 Q07820 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31

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
SCHEMBL629814 0.78
SCHEMBL25700435 0.76
SCHEMBL11545282 0.76 CYP2C9 (0.41) MEN1KMT2ATDP1CYP2C9KDM7A
SCHEMBL11224794 0.75 MEN1 (0.43) MEN1KMT2ATDP1CYP2C9KDM7A
SCHEMBL8675386 0.72 KMT2A (0.42) MEN1KMT2ATDP1CYP2C9KDM7A
SCHEMBL15131278 0.70 LMNA (0.33) MEN1KMT2ATDP1KDM7APHF8
SCHEMBL27783250 0.70
SCHEMBL6480730 0.70 L3MBTL1 (0.41) MEN1KMT2ATDP1CYP2C9KDM7A
SCHEMBL20052604 0.70
SCHEMBL11063771 0.70 MEN1 (0.36) MEN1KMT2ACYP2C9MAPT

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
US-4166894-A QUATERNARY AMMONIUM COMPOUNDS OR POLYMERS HAVING AMIDE GROUPS CALGON CORPORATION (US) 1979-09-04 US disclosed
US-4075136-A ELECTROCONDUCTIVE COATING CALGON CORPORATION (US) 1978-02-21 US disclosed