SCHEMBL10993256

SCHEMBL10993256

[NH]C(=O)C(NC(=N)N)c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.37
FOLH1 Q04609 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
LMNA P02545 1/20 0.36
ANPEP P15144 1/20 0.35
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CA2 P00918 1/20 0.33
HTR3A P46098 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
SRC P12931 1/20 0.33
YARS1 P54577 1/20 0.33
PDCD1 Q15116 1/20 0.33

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
SCHEMBL10993260 0.87 PEPD (0.38) PEPDFOLH1NAALAD2LMNAANPEP
SCHEMBL10972167 0.87 PEPD (0.42) PEPDFOLH1NAALAD2LMNAANPEP
SCHEMBL10966248 0.84 ALDH1A1 (0.44) LMNAALDH1A1GAACA2PRSS1
SCHEMBL7472114 0.77 PRSS1 (0.38) FOLH1ESR1ESR2TSHRPRSS1
SCHEMBL10972171 0.72 PEPD (0.45) PEPDFOLH1NAALAD2LMNAKMT2A
SCHEMBL1286910 0.72 ESR1 (0.46) LMNATDP1ALDH1A1HIF1ATAAR1
SCHEMBL11215857 0.71 F10 (0.40) NAALAD2LMNAKMT2AALDH1A1PRSS1
SCHEMBL10966252 0.70 TACR3 (0.49) LMNAALDH1A1GAACA2CYP3A4
SCHEMBL10332569 0.70 LMNA (0.50) LMNAALDH1A1GAACA2SRC
SCHEMBL28160803 0.70 CA1 (0.50) NAALAD2LMNAALDH1A1GAACA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4407815-A AMINO ACID DERIVATIVE ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-10-04 US claimed
US-4517124-A REACTION OF A MERCAPTAN TO FORM ANTIVIOTIC BEECHAM GROUP LIMITED (GB) 1985-05-14 US disclosed
EP-0034443-B1 BETA-LACTAM ANTIBACTERIAL COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1984-09-26 EP disclosed
US-4463010-A 1-Aza-[3.2.0]-bicycloheptane-2-carboxylic acid, ester or salt thereof BEECHAM GROUP P.L.C. (GB) 1984-07-31 US disclosed
EP-0084730-A1 Esters of penicillin derivatives with beta-lactamase inhibitors, their preparation and their use BEECHAM GROUP PLC (GB) 1983-08-03 EP disclosed
US-4387051-A β-Lactam antibiotics, their preparation and their use in pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1983-06-07 US disclosed