SCHEMBL28625515

SCHEMBL28625515

Nc1ccc(COC(=O)OCc2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP19A1 P11511 2/20 0.49
CYP17A1 P05093 1/20 0.49
HDAC1 Q13547 6/20 0.48
HDAC3 O15379 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC4 P56524 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
CYP3A4 P08684 2/20 0.46
KDM1A O60341 1/20 0.46
F3 P13726 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL4245622 0.89 KMT2A (0.58) KMT2ALMNATDP1CYP19A1CYP17A1
SCHEMBL27400293 0.82 ALDH1A1 (0.55) KMT2ALMNATDP1ALDH1A1MAPT
SCHEMBL28979662 0.82 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL28596954 0.82 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL932927 0.82 KMT2A (0.45) KMT2ALMNATDP1CYP3A4ALDH1A1
SCHEMBL29557056 0.81 KMT2A (0.51) KMT2ALMNATDP1CYP19A1CYP17A1
SCHEMBL14351315 0.80 KMT2A (0.53) KMT2ALMNATDP1CYP19A1CYP17A1
SCHEMBL14351314 0.80 KMT2A (0.53) KMT2ALMNATDP1CYP19A1CYP17A1
SCHEMBL29556883 0.80 KMT2A (0.53) KMT2ALMNATDP1CYP19A1CYP17A1
SCHEMBL537263 0.79 RECQL (0.56) KMT2ALMNATDP1CYP19A1CYP17A1

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
CN-113185454-A Anthranilic acid amide compound based on entinostat skeleton and preparation and application thereof 南华大学 2021-07-30 CN disclosed