SCHEMBL11897941

SCHEMBL11897941

Nc1nc2ncc(CNc3ccc(C(=O)NC(CC(O)C(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 5/20 0.79
▸ TYMS P04818 3/20 0.79
▸ KDM4E B2RXH2 1/20 0.79
▸ MEN1 O00255 1/20 0.79
▸ ALDH1A1 P00352 1/20 0.79
▸ POLB P06746 1/20 0.79
▸ GAA P10253 1/20 0.79
▸ HPGD P15428 1/20 0.79
▸ TSHR P16473 1/20 0.79
▸ PTGS2 P35354 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ HSD17B10 Q99714 1/20 0.79
▸ TDP1 Q9NUW8 1/20 0.79
▸ ADORA3 P0DMS8 1/20 0.57
▸ DHFR P00374 5/20 0.55
▸ GART P22102 2/20 0.52
▸ ATIC P31939 1/20 0.52
▸ NOS1 P29475 1/20 0.45

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
SCHEMBL30634933 1.00 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30174303 0.93 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15094347 0.93 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28226859 0.92 AKR1B1 (0.80) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL29423667 0.91 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL869875 0.91 AKR1B1 (0.79) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL8044594 0.91 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL16150298 0.91 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL14323639 0.91 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15530422 0.91 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1

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
CN-107537039-A Target lignin-base nano and carry powder 天津科技大学 2018-01-05 — — CN claimed
EP-1622646-B1 TREATMENT OF LUPUS TARGETING THE MACROPHAGES OR THE FOLATE RECEPTOR PURDUE RESEARCH FOUNDATION (US) 2012-08-08 — — EP claimed
CN-102579343-A Method for improving target effect of receptor targeting preparation based on folic acid compounds UNIV CHINA PHARMA 2012-07-18 — — CN claimed
CN-1293920-C Process for preparing driving target-directional carrier of folic acid compound mediated UNIV TONGJI (CN) 2007-01-10 — — CN claimed
CN-1733309-A The preparation method of folic acid compound mediated active targeting vector UNIV TONGJI (CN) 2006-02-15 — — CN claimed
CN-102579343-B Method for improving target effect of receptor targeting preparation based on folic acid compounds UNIV CHINA PHARMA 2013-05-22 — — CN disclosed
CN-102579343-A Method for improving target effect of receptor targeting preparation based on folic acid compounds UNIV CHINA PHARMA 2012-07-18 — — CN disclosed
CN-1293920-C Process for preparing driving target-directional carrier of folic acid compound mediated UNIV TONGJI (CN) 2007-01-10 — — CN disclosed
CN-1733309-A The preparation method of folic acid compound mediated active targeting vector UNIV TONGJI (CN) 2006-02-15 — — CN disclosed
CN-1218983-C Folic acid-polydiol compound and its medicinal composition FUKANG MEDICINE SCIENCE & TECH (CN) 2005-09-14 — — CN disclosed
CN-1472235-A Folic acid-polydiol compound and its medicinal composition 上海复康医药科技发展有限公司 2004-02-04 — — CN disclosed
CN-1095472-C Folica acid-polysaccharide composite and its preparation and medical composition with the composite as active component FUKANG MEDICAL SCIENCE & TECH (CN) 2002-12-04 — — CN disclosed
CN-1287127-A Folica acid-polysaccharide composite and its preparation and medical composition with the composite as active component SHANGHAI MEDICAL UNIV (CN) 2001-03-14 — — CN disclosed
Send feedback