Sugi Predict

Sugi Predict / Compounds / SCHEMBL5486400

SCHEMBL5486400

SCHEMBL5486400

O=C(O)C1=Nc2ccccc2C(=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HK1 P19367 1/20 0.36
▸ GALK1 P51570 1/20 0.36
▸ HKDC1 Q2TB90 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34

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
SCHEMBL9060888 0.84 ALDH1A1 (0.40) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL29191703 0.84 NOTUM (0.41) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL28745159 0.81 POLB (0.36) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL8049614 0.77 CASP1 (0.38) POLBALDH1A1KDM4EMAPTMEN1
SCHEMBL9178589 0.77 MAPT (0.51) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7066696 0.76 KDR (0.30) L3MBTL1HPGD
SCHEMBL515808 0.76 TRPA1 (0.44) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL29697828 0.76 TRPA1 (0.44) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL6667756 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
Acetic Acid SCHEMBL6142954 0.73 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024012554-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME 上海日馨医药科技股份有限公司 2024-01-18 — — WO disclosed
CN-102781936-A Heterocyclic compound having azole group TOYAMA CHEMICAL CO LTD 2012-11-14 — — CN disclosed
CN-102683617-A Application of levofloxacin in organic electroluminescent device UNIV TAIYUAN TECHNOLOGY 2012-09-19 — — CN disclosed
CN-102683617-A Application of levofloxacin in organic electroluminescent device UNIV TAIYUAN TECHNOLOGY 2012-09-19 — — CN disclosed
CN-102683616-A Application of ciprofloxacin as luminescent material in organic electroluminescent device UNIV TAIYUAN TECHNOLOGY 2012-09-19 — — CN disclosed
CN-102683616-A Application of ciprofloxacin as luminescent material in organic electroluminescent device UNIV TAIYUAN TECHNOLOGY 2012-09-19 — — CN disclosed
CN-102167702-A 3-trifluoromethyl-2,5-diazabicyclo[2.2.1] heptane derivant and preparation method thereof SHANGHAI PHARMATECH CO LTD 2011-08-31 — — CN disclosed
US-20070292912-A1 Diffusion-controlling sensor layer BAYER AKTIENGESELLSCHAFT 2007-12-20 — — US disclosed
US-6034100-A THERAPY FOR RHEUMATIC ARTHRITIS, ADULTRESPIRATORY DISTRESS SYNDRONE, AUTOIMMUNE DISEASES, INFLAMMATION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-03-07 — — US disclosed
CN-1079745-A New 9-fluoro-7-oxo-7H-pyrido [1,2,3-d, e] [1,4] benzoxazine-6-carboxylic acids and ester thereof BAYER AG (DE) 1993-12-22 — — CN disclosed
US-4816451-A Antibacterial 1,8-bridged 4-quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-03-28 — — US disclosed
EP-0253235-A1 1,8-Bridged 4-quinolone carboxylic acids and medicaments contaning them BAYER AG (DE) 1988-01-20 — — EP disclosed
US-4328341-A Process for preparing certain pyrano[3,2-g]quinoline 2,8-dicarboxylates and 4-oxo-quinoline-2-carboxylates FISONS LIMITED (GB) 1982-05-04 — — US disclosed