SCHEMBL30434985

SCHEMBL30434985

NC(=O)C[C@H](N)C(=O)Nc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KDM1A O60341 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ MMP1 P03956 1/20 0.40

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
SCHEMBL8171158 0.87 GAA (0.57) GAAKMT2AMEN1KDM1AHPGD
SCHEMBL5093996 0.84 GAA (0.53) GAAKMT2AMEN1KDM1AHPGD
SCHEMBL31362806 0.78 GAA (0.47) GAAKMT2AMEN1KDM1AHPGD
SCHEMBL28382010 0.77 GAA (0.46) GAAKMT2AMEN1KDM1AHPGD
Hydrochloric Acid SCHEMBL10846536 0.77 LTA4H (0.52) GAAKMT2AMEN1KDM1AHPGD
SCHEMBL29807803 0.74 GAA (0.61) GAAKMT2AMEN1KDM1AHPGD
SCHEMBL3859948 0.74 GAA (0.61) GAAKMT2AMEN1KDM1AHPGD
SCHEMBL17993533 0.74 KDM1A (0.70) GAAKMT2AMEN1KDM1AHPGD
SCHEMBL7723381 0.73 GAA (0.59) GAAKMT2AMEN1KDM1AHPGD
SCHEMBL9400389 0.72 NPC1 (0.66) GAAKMT2AMEN1KDM1AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948032-A Furanopyrimidine derivatives 默克专利股份有限公司 2025-05-06 — — CN disclosed
CN-117982625-A Use of TRIM72 in the prevention or treatment of ALS 神济昌华(北京)生物科技有限公司 2024-05-07 — — CN disclosed
CN-112153978-B WS-635 and its use in medicine 中美华世通生物医药科技(武汉)股份有限公司 2024-04-19 — — CN disclosed
CN-110753557-B TRIM72 uses ubiquitinated FUS protein mutants as potential therapeutic targets for ALS 神济昌华(北京)生物科技有限公司 2024-03-22 — — CN disclosed
CN-112867715-B 5-azaindazole derivatives as adenosine receptor antagonists 默克专利股份公司 2024-03-05 — — CN disclosed
CN-117222435-A HER 2-targeted Fc antigen binding fragment-drug conjugates 默克专利有限公司 2023-12-12 — — CN disclosed
CN-110997662-B Benzimidazole derivatives as adenosine receptor antagonists 默克专利股份公司 2023-10-31 — — CN disclosed
CN-114805139-B Prodrugs of ketamine, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2023-10-20 — — CN disclosed
CN-111770914-B Compounds as neurokinin-1 receptor antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2023-06-20 — — CN disclosed
CN-111183142-B Boric acid derivatives 默克专利股份公司 2023-06-16 — — CN disclosed
CN-110944994-B Quinoxaline derivatives as adenosine receptor antagonists 默克专利股份公司 2023-06-09 — — CN disclosed
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