SCHEMBL28444580

SCHEMBL28444580

O=C(ON=Nc1ccccc1)c1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.51
HSD17B10 Q99714 4/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HMGB1 P09429 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 5/20 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
SCHEMBL30271589 0.79 HPGD (0.55) HPGDLMNAKDM4EALDH1A1TDP1
SCHEMBL31013354 0.78 RAB9A (0.48) HPGDALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL3205838 0.78 RAB9A (0.55) HPGDLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL28075523 0.77 HPGD (0.72) HPGDHSD17B10ALOX15LMNATSHR
Azobenzene SCHEMBL28075526 0.76 ALDH1A1 (0.75) HPGDHSD17B10ALOX15LMNATSHR
SCHEMBL29020028 0.72 MYC (0.56) HPGDHSD17B10LMNATSHRKDM4E
SCHEMBL28233495 0.72 MAPT (0.47) HPGDLMNAKDM4EALDH1A1TDP1
SCHEMBL29525350 0.71 LMNA (0.68) HPGDHSD17B10ALOX15LMNATSHR
SCHEMBL3908136 0.71 LMNA (0.68) HPGDHSD17B10ALOX15LMNATSHR
SCHEMBL10203414 0.71 LMNA (0.68) HPGDHSD17B10ALOX15LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088784-A Synthesis method of mesalamine 广州市桐晖药业有限公司 2023-11-21 CN disclosed
CN-116003274-A Method for synthesizing catalyst-free 5-aminosalicylic acid 浙江华贝药业有限责任公司 2023-04-25 CN disclosed
CN-116003274-A Method for synthesizing catalyst-free 5-aminosalicylic acid 浙江华贝药业有限责任公司 2023-04-25 CN disclosed
CN-114605277-B Synthesis method of mesalazine 宁波怡和医药科技有限公司 2022-10-11 CN disclosed
CN-114605277-A Synthesis method of mesalazine 宁波怡和医药科技有限公司 2022-06-10 CN disclosed
CN-111533663-B Method for synthesizing mesalazine 常州工程职业技术学院 2022-03-08 CN disclosed
CN-111533663-A Method for synthesizing mesalazine 常州工程职业技术学院 2020-08-14 CN disclosed