SCHEMBL658589

SCHEMBL658589

CCCCCNc1ncccn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.53
KCNH3 Q9ULD8 2/20 0.51
DNM2 P50570 5/20 0.50
HRH4 Q9H3N8 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
S1PR2 O95136 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.43
FLT3 P36888 2/20 0.43
TYRO3 Q06418 2/20 0.43
MERTK Q12866 2/20 0.43
GAS6 Q14393 2/20 0.43
AXL P30530 1/20 0.43
NPC1 O15118 1/20 0.42
UTS2R Q9UKP6 2/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL23610609 0.98 ALDH1A1 (0.60) ALDH1A1HPGDKCNH3DNM2HRH4
SCHEMBL10532570 0.98 ALDH1A1 (0.60) ALDH1A1HPGDKCNH3DNM2HRH4
SCHEMBL6490227 0.93 ALDH1A1 (0.65) ALDH1A1HPGDKCNH3DNM2HRH4
SCHEMBL8993792 0.88 ALDH1A1 (0.48) ALDH1A1HPGDKCNH3DNM2
SCHEMBL15928752 0.88 ALDH1A1 (0.48) ALDH1A1HPGDKCNH3DNM2NPSR1
SCHEMBL8993775 0.88 ALDH1A1 (0.48) ALDH1A1HPGDKCNH3DNM2
SCHEMBL11497625 0.84 ALDH1A1 (0.71) ALDH1A1HPGDLMNAKMT2AUTS2R
SCHEMBL22771126 0.82 ALDH1A1 (0.56) ALDH1A1HPGDKCNH3DNM2HRH4
SCHEMBL514930 0.81 KCNH3 (0.46) ALDH1A1KCNH3DNM2NPSR1S1PR2
SCHEMBL6671613 0.79 DNM2 (0.46) KCNH3DNM2NPSR1S1PR2LMNA

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 167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116655600-A Substituted 2-arylamino pyrimidine compound, pharmaceutical composition and application thereof 江南大学 2023-08-29 CN claimed
US-20180153984-A1 ADJUVANT PARTICLES COMPRISING ADENOSINE RECEPTOR ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-07 US claimed
WO-2016176558-A1 ADJUVANT PARTICLES COMPRISING ADENOSINE RECEPTOR ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-03 WO claimed
CN-100490818-C Methods for treating hepatitis delta virus infection with beta-L-2' deoxy-uncleosides NOVARTIS AG (CH) 2009-05-27 CN claimed
CN-101099745-A Methods and compositions for treating flaviviruses and pestiviruses IDENIX CAYMAN LTD (VG) 2008-01-09 CN claimed
CN-1849142-A 2'-branched nucleosides and flaviviridae mutation IDENIX CAYMAN LTD (KY) 2006-10-18 CN claimed
US-6841549-B1 Condensed imidazole compounds and a therapeutic agent for diabetes mellitus EISAI CO., LTD. (JP) 2005-01-11 US claimed
US-4914077-A GOOD HUE AND STABILITY EASTMAN KODAK COMPANY (US) 1990-04-03 US claimed
US-20230181469-A1 MICROPARTICLE FORMULATIONS OF ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER CYTODIGM, INC. 2023-06-15 US disclosed
CN-109761998-B Preparation and application of bis-fluoroquinolone thiadiazole urea Fleroxacin derivative 河南大学 2023-06-02 CN disclosed
CN-109761997-B Preparation and application of bis-fluoroquinolone thiadiazole urea N-methyl lomefloxacin derivative 河南大学 2023-05-02 CN disclosed
WO-2023070114-A2 REVERSIBLE LYSINE COVALENT MODIFIERS OF EGFR AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
CN-109776637-B Nucleoside phosphoramidate prodrugs 吉利德科学公司 2023-04-18 CN disclosed
CN-115844896-A Methods of treating arenaviridae and coronaviridae virus infections 吉利德科学公司 2023-03-28 CN disclosed
EP-1140083-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
US-6177437-B1 VIRICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER 2001-01-23 US disclosed
WO-2000040243-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 WO disclosed
US-5610303-A MONOAMIDE OXIDASE INHIBITORS UBE INDUSTRIES, LTD. (JP) 1997-03-11 US disclosed
US-4041030-A SEDATIVES, ANTIULCER AGENTS, BRONCHODILATORS, ANTICHOLIERGICS, DIURETICS, ANALGESICS, MYORELAXANTS, ANTIANOXIMIC DELALANDE S.A. (FR) 1977-08-09 US disclosed
US-4025514-A SEDATIVES, ANTIINFLAMMATORY ANTIULCER, ANTIANOXEMIA DELALANDE S.A. (FR) 1977-05-24 US disclosed