SCHEMBL875989

SCHEMBL875989

CCN(CC)CCNC(=O)c1ccc(NCCC(C)N2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.66
DNMT3L Q9UJW3 1/20 0.66
DNMT3A Q9Y6K1 1/20 0.66
TDP1 Q9NUW8 1/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NFKB1 P19838 1/20 0.51
KCNH2 Q12809 1/20 0.51
BLM P54132 2/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAMPT P43490 1/20 0.50
MCHR1 Q99705 4/20 0.48
LMNA P02545 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 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
SCHEMBL875505 0.88 DNMT1 (0.64) DNMT1DNMT3LDNMT3ATDP1POLB
SCHEMBL875706 0.85 DNMT1 (0.64) DNMT1DNMT3LDNMT3ATDP1POLB
SCHEMBL876453 0.85 DNMT1 (0.65) DNMT1DNMT3LDNMT3ATDP1POLB
SCHEMBL875739 0.85 DNMT1 (0.65) DNMT1DNMT3LDNMT3ATDP1POLB
SCHEMBL875968 0.85 DNMT1 (0.65) DNMT1DNMT3LDNMT3ATDP1POLB
SCHEMBL10049623 0.81 DNMT1 (0.92) DNMT1DNMT3LDNMT3ATDP1POLB
SCHEMBL9490255 0.76 ALDH1A1 (0.70) DNMT1DNMT3LDNMT3ATDP1POLB
SCHEMBL876117 0.75 ALDH1A1 (0.59) DNMT1DNMT3LDNMT3ATDP1POLB
SCHEMBL26752805 0.73 ALDH1A1 (0.74) TDP1POLBALDH1A1NFKB1KCNH2
SCHEMBL19123079 0.73 ALDH1A1 (0.62) DNMT1DNMT3LDNMT3ATDP1POLB

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-2012038417-A1 SUBSTITUTED AMINO - BENZOIC ACID DERIVATIVES AS INHIBITORS OF DNA METHYLTRANSFERASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-03-29 WO disclosed