SCHEMBL28580374

SCHEMBL28580374

CC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.74
CD274 Q9NZQ7 6/20 0.68
ALDH1A1 P00352 1/20 0.68
HTR1A P08908 1/20 0.68
MAOA P21397 1/20 0.68
MAOB P27338 1/20 0.68
KCNH2 Q12809 1/20 0.68
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
HPGD P15428 1/20 0.65
NAMPT P43490 1/20 0.64

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
SCHEMBL25753365 0.87 CD274 (0.68) EPHX2CD274ALDH1A1HTR1AMAOA
SCHEMBL11926730 0.87 SMN1; SMN2 (0.76) EPHX2NAMPTPOLB
SCHEMBL14139926 0.87 CD274 (0.71) EPHX2CD274ALDH1A1HTR1AMAOA
SCHEMBL12808473 0.85 SMN1; SMN2 (0.73) EPHX2NAMPTPOLB
SCHEMBL280240 0.84 MEN1 (0.76) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL19634426 0.84 CD274 (0.67) EPHX2CD274ALDH1A1HTR1AMAOA
SCHEMBL25754489 0.84 CD274 (0.67) EPHX2CD274ALDH1A1HTR1AMAOA
SCHEMBL21722616 0.83 HDAC3 (0.78) EPHX2CD274ALDH1A1HTR1AMAOA
SCHEMBL16317338 0.83 CD274 (0.94) EPHX2CD274ALDH1A1HTR1AMAOA
SCHEMBL10643009 0.82 CD274 (0.65) EPHX2CD274ALDH1A1HTR1AMAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112703036-A Substituted benzamides and their use in therapy 法玛西尔有限公司 2021-04-23 CN claimed
CN-112703036-B Substituted benzamides and their use in therapy 法玛西尔有限公司 2025-05-27 CN disclosed
CN-112703036-A Substituted benzamides and their use in therapy 法玛西尔有限公司 2021-04-23 CN disclosed