SCHEMBL28239164

SCHEMBL28239164

CCOC(=O)c1ccc(Nc2ccnc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
DNMT1 P26358 5/20 0.64
DNMT3A Q9Y6K1 4/20 0.64
HDAC3 O15379 1/20 0.64
ACHE P22303 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
DNMT3L Q9UJW3 1/20 0.64
KDM4E B2RXH2 5/20 0.60
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 4/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60

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
SCHEMBL7369587 0.87 HTR2C (0.67) RAB9ADNMT1DNMT3ADNMT3LMAPT
SCHEMBL15923019 0.87 DNMT1 (0.57) RAB9ADNMT1DNMT3AHDAC3ACHE
SCHEMBL21346884 0.84 GAA (0.61) KDM4EMAPTALDH1A1HPGDCYP1A2
Hydrochloric Acid SCHEMBL21332758 0.83 GAA (0.60) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL29822716 0.80 DNMT1 (0.75) RAB9ADNMT1DNMT3AHDAC3ACHE
SCHEMBL1891738 0.80 DNMT1 (0.75) RAB9ADNMT1DNMT3AHDAC3ACHE
SCHEMBL28238219 0.80 DNMT1 (0.78) DNMT1DNMT3AHDAC3ACHEHDAC1
SCHEMBL12217987 0.80 DNMT1 (0.78) DNMT1DNMT3AHDAC3ACHEHDAC1
Hydrochloric Acid SCHEMBL1887938 0.79 DNMT1 (0.73) RAB9ADNMT1DNMT3AHDAC3ACHE
SCHEMBL31696329 0.79 DNMT1 (0.73) DNMT1DNMT3AHDAC3ACHEHDAC1

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
CN-108358841-B 4- ((2-substituted quinoline-4-yl) amino) benzoyl hydrazine derivatives, and preparation method and application thereof 厦门大学 2020-11-10 CN disclosed
CN-108358841-A A kind of 4- ((2- substd quinolines -4- bases) amino) benzoyl hydrazine analog derivative and the preparation method and application thereof 厦门大学 2018-08-03 CN disclosed