SCHEMBL4381133

SCHEMBL4381133

C[n+]1ccc(C(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.57
PARP1 P09874 3/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RCE1 Q9Y256 1/20 0.48
APAF1 O14727 1/20 0.48
RGS12 O14924 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL31034848 0.89 TSHR (0.52) NNMTPARP1POLBL3MBTL1TSHR
SCHEMBL12687663 0.77 PARP1 (0.52) NNMTPARP1POLBL3MBTL1TSHR
SCHEMBL12160935 0.77 TSHR (0.55) TSHRCA2CA1ALDH1A1APOBEC3A
SCHEMBL30505 0.77 HPGD (0.46) L3MBTL1MAPTTDP1KMT2AMAPK1
SCHEMBL4379651 0.75 SMN1; SMN2 (0.52) NNMTHDAC8
Hydrochloric Acid SCHEMBL19877380 0.75 TSHR (0.52) L3MBTL1TSHRCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL152518 0.75 HPGD (0.44) L3MBTL1MAPTTDP1KMT2AMAPK1
Bromide SCHEMBL145328 0.75 HPGD (0.44) L3MBTL1MAPTTDP1KMT2AMAPK1
SCHEMBL7291835 0.75 PARP1 (0.50) NNMTPARP1POLBL3MBTL1TSHR
SCHEMBL30200149 0.75 USP2 (0.57) L3MBTL1CA2CA1APOBEC3ACTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108779075-A 3- (carboxymethyl group) -8- amino -2- oxos -1,3- aza-spiro-[4.5]-decane derivative 格吕伦塔尔有限公司 2018-11-09 CN claimed
EP-0049448-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM BAYER AG (DE) 1988-08-24 EP claimed
EP-0098433-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION AND PREPARATIONS CONTAINING THEM BAYER AG (DE) 1987-12-02 EP claimed
US-4626535-A Cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1986-12-02 US claimed
EP-0181172-A2 Cephalosporin antibiotics GLAXO GROUP LIMITED (GB) 1986-05-14 EP claimed
EP-0098433-A2 Beta-lactam antibiotics, process for their preparation and preparations containing them BAYER AG (DE) 1984-01-18 EP claimed
EP-0049448-A2 Beta-lactam antibiotics, process for their preparation and compositions containing them BAYER AG (DE) 1982-04-14 EP claimed
WO-2020099858-A1 CEPHALOSPORIN CIPROFLOXACIN HYBRID COMPOUNDS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-05-22 WO disclosed
CN-108779075-A 3- (carboxymethyl group) -8- amino -2- oxos -1,3- aza-spiro-[4.5]-decane derivative 格吕伦塔尔有限公司 2018-11-09 CN disclosed
CN-105849084-B Insecticidal compounds 先正达参股股份有限公司 2018-07-20 CN disclosed
CN-105873901-B Insecticidal compounds 先正达参股股份有限公司 2018-07-03 CN disclosed
US-9790252-B2 2-fluorinated riboses and arabinoses and methods of use and synthesis CORNELL UNIVERSITY (US) 2017-10-17 US disclosed
CN-105102421-B Method for producing amides from hindered anilines containing perhaloalkyl groups 先正达参股股份有限公司 2017-07-18 CN disclosed
EP-0081674-A1 Intermediate products, process for preparing them and a process for the preparation of cephalosporins BAYER AG (DE) 1983-06-22 EP disclosed
US-4357331-A 7αMethoxycephalosporin derivatives MEIJI SEIKA KAISHA, LTD. (JP) 1982-11-02 US disclosed
US-4338436-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4338439-A BACTERICIDAL ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
US-4325951-A 1-Oxadethiacephalosporin derivatives and antibacterial use thereof MEIJI SEIKA KAISHA, LTD. (JP) 1982-04-20 US disclosed
EP-0049448-A2 Beta-lactam antibiotics, process for their preparation and compositions containing them BAYER AG (DE) 1982-04-14 EP disclosed
US-4258041-A BROAD SPECTRUM ANTIBIOTIC EFFECTIVE AGAINST PSEUDOMONAS GLAXO GROUP LIMITED (GB) 1981-03-24 US disclosed