SCHEMBL876414

SCHEMBL876414

CCCCCCCCCC(CCNc1ccc(C(=O)NCCN(CC)CC)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 3/20 0.49
DNMT3L Q9UJW3 1/20 0.49
DNMT3A Q9Y6K1 1/20 0.49
CYP2C19 P33261 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
CCKBR P32239 4/20 0.41
IL1RN P18510 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC10 Q969S8 2/20 0.39

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
SCHEMBL876158 1.00 DNMT1 (0.49) DNMT1DNMT3LDNMT3ACYP2C19DNMT3B
SCHEMBL878335 0.95 DNMT1 (0.48) DNMT1DNMT3LDNMT3ACYP2C19DNMT3B
Procainamide SCHEMBL19244074 0.78 DNMT1 (0.62) DNMT1DNMT3LDNMT3ACYP2C19DNMT3B
SCHEMBL875739 0.77 DNMT1 (0.65) DNMT1DNMT3LDNMT3ACYP2C19KMT2A
SCHEMBL876453 0.77 DNMT1 (0.65) DNMT1DNMT3LDNMT3ACYP2C19KMT2A
SCHEMBL875968 0.77 DNMT1 (0.65) DNMT1DNMT3LDNMT3ACYP2C19KMT2A
SCHEMBL875706 0.77 DNMT1 (0.64) DNMT1DNMT3LDNMT3ACYP2C19KMT2A
SCHEMBL875505 0.72 DNMT1 (0.64) DNMT1DNMT3LDNMT3ACYP2C19KMT2A
SCHEMBL875989 0.72 DNMT1 (0.66) DNMT1DNMT3LDNMT3ACYP2C19KMT2A
SCHEMBL883644 0.70 KMT2A (0.74) DNMT1CYP2C19DNMT3BPKMKMT2A

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