SCHEMBL9658209

SCHEMBL9658209

CO/N=C(/C(=O)O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.46
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
GPR35 Q9HC97 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 1/20 0.44
PREP P48147 1/20 0.44
DPP9 Q86TI2 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
PHPT1 Q9NRX4 1/20 0.43
CASP6 P55212 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL9658211 1.00 TPMT (0.46) TPMTTSHRMAPK1GPR35ALDH1A1
SCHEMBL9659596 0.88 DPP4 (0.43) TPMTTSHRMAPK1GPR35ALDH1A1
SCHEMBL9659586 0.88 DPP4 (0.43) TPMTTSHRMAPK1GPR35ALDH1A1
SCHEMBL8726051 0.83 TTR (0.50) TPMTTSHRMAPK1GPR35ALDH1A1
SCHEMBL8726053 0.83 TTR (0.50) TPMTTSHRMAPK1GPR35ALDH1A1
SCHEMBL11088352 0.82 MAPK1 (0.49) TSHRMAPK1GPR35ALDH1A1TP53
SCHEMBL11088359 0.82 MAPK1 (0.49) TSHRMAPK1GPR35ALDH1A1TP53
SCHEMBL17216604 0.81 SMN1; SMN2 (0.48) TPMTTSHRMAPK1GPR35ALDH1A1
SCHEMBL15851127 0.81 SMN1; SMN2 (0.48) TPMTTSHRMAPK1GPR35ALDH1A1
SCHEMBL11087467 0.81 PDK1 (0.40) TSHRMAPK1GPR35ALDH1A1TP53

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
US-5079369-A N-acylating agent FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-01-07 US disclosed
US-4877873-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-31 US disclosed
US-4871860-A Syn-isomer of 3,7-disubstituted-3-cephem-4-caroxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-03 US disclosed
US-4804752-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-14 US disclosed
US-4544653-A BACTERICIDAL CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-01 US disclosed
US-4493833-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 US disclosed
US-4431643-A CEPHALOSPORINS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-14 US disclosed
US-4364943-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-21 US disclosed
US-4331664-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 US disclosed
US-4316019-A AMIDATION BY A 2-ALKOXYIMINO-2-THIAZOLYLACETIC ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-02-16 US disclosed
US-4304770-A Syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4279818-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-21 US disclosed
US-4166115-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 US disclosed