SCHEMBL5597444

SCHEMBL5597444

NC(=O)c1cccnc1-c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
PDPK1 O15530 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHEK2 O96017 1/20 0.40
CYP2A6 P11509 1/20 0.40
ECE1 P42892 1/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL29983575 1.00 PARP1 (0.46) PARP1KDM4ETDP1NPC1ALDH1A1
SCHEMBL17793760 0.85 KDM4E (0.65) KDM4ETDP1NPC1ALDH1A1MAPT
SCHEMBL4186883 0.80 KDM4E (0.65) PARP1KDM4ETDP1NPC1ALDH1A1
SCHEMBL30810276 0.80 PARP1 (0.45) PARP1KDM4ENPC1ALDH1A1MAPT
SCHEMBL30517722 0.79 CSNK1A1 (0.50) PARP1KDM4ENPC1ALDH1A1MAPT
SCHEMBL995828 0.79 CSNK1A1 (0.50) PARP1KDM4ENPC1ALDH1A1MAPT
SCHEMBL31619658 0.78 PARP1 (0.44) PARP1KDM4ETDP1NPC1ALDH1A1
SCHEMBL10406074 0.77 PARP1 (0.46) PARP1KDM4ETDP1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL30810223 0.77 CSNK1A1 (0.49) PARP1KDM4ENPC1ALDH1A1MAPT
SCHEMBL31238942 0.77 PARP1 (0.46) PARP1KDM4ETDP1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501258-B Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2018-08-28 CN claimed
CN-108299418-A A kind of synthetic method of the thiazolyl nicotinamide compound of antiallergy and asthma 刘双伟 2018-07-20 CN claimed
CN-107501258-A Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2017-12-22 CN claimed
WO-2007004038-A1 AMINOTHIAZOLE DERIVATIVES AS AGONISTS OF THE THROMBOPOIETIN RECEPTOR PFIZER PRODUCTS INC. (US) 2007-01-11 WO claimed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO claimed
CN-107501258-B8 Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 青岛大学附属医院 2018-10-16 CN disclosed
CN-107501258-B8 Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 青岛大学附属医院 2018-10-16 CN disclosed
CN-107501258-B Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2018-08-28 CN disclosed
CN-107501258-B Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2018-08-28 CN disclosed
CN-107501258-B Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2018-08-28 CN disclosed
CN-108299418-A A kind of synthetic method of the thiazolyl nicotinamide compound of antiallergy and asthma 刘双伟 2018-07-20 CN disclosed
CN-108299418-A A kind of synthetic method of the thiazolyl nicotinamide compound of antiallergy and asthma 刘双伟 2018-07-20 CN disclosed
CN-107501258-A Thiazolyl nicotinamide compound and application thereof in preparation of anti-allergic and anti-asthma medicines 刘双伟 2017-12-22 CN disclosed
CN-104254534-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2017-07-14 CN disclosed
CN-104254534-A Modulators of HEC1 activity and methods thereof TAIVEX THERAPEUTICS CORP 2014-12-31 CN disclosed
WO-2007004038-A1 AMINOTHIAZOLE DERIVATIVES AS AGONISTS OF THE THROMBOPOIETIN RECEPTOR PFIZER PRODUCTS INC. (US) 2007-01-11 WO disclosed
WO-2006129257-A2 KETOLIDE DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-12-07 WO disclosed
CN-1812964-A Heterocyclic methyl sulfone derivative DAIICHI SEIYAKU CO (JP) 2006-08-02 CN disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed