SCHEMBL8905138

SCHEMBL8905138

N=C(N)c1ccc(OC(=O)CCC(N)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.50
F2 P00734 4/20 0.50
ST14 Q9Y5Y6 4/20 0.50
PLAU P00749 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TMPRSS2 O15393 2/20 0.49
PRMT1 Q99873 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
PRMT5 O14744 1/20 0.47
SLC22A2 O15244 1/20 0.47
SLC22A1 O15245 1/20 0.47
PTP4A3 O75365 1/20 0.47
SLC22A3 O75751 1/20 0.47
F10 P00742 1/20 0.47

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
Hydrochloric Acid SCHEMBL8500971 0.98 PRSS1 (0.51) PRSS1F2ST14PLAUALDH1A1
SCHEMBL8503419 0.92 PRSS1 (0.51) PRSS1F2ST14PLAUKMT2A
Hydrochloric Acid SCHEMBL8497832 0.90 PRSS1 (0.53) PRSS1F2ST14PLAUKMT2A
SCHEMBL4801933 0.82 F2 (0.53) PRSS1F2ST14PLAUTMPRSS2
SCHEMBL11767220 0.81 ESR1 (0.66) PRSS1F2ST14PLAUKMT2A
SCHEMBL8501000 0.79 PRSS1 (0.38) PRSS1F2ST14PLAUTMPRSS2
SCHEMBL3957120 0.79 KMT2A (0.63) PRSS1ALDH1A1LMNAMAPTHTT
SCHEMBL27483832 0.78 PRSS1 (0.57) PRSS1ALDH1A1LMNAMAPTHTT
SCHEMBL16502369 0.76 KMT2A (0.61) PRSS1F2ST14PLAUALDH1A1
SCHEMBL27500022 0.74 PRSS1 (0.59) PRSS1F2ST14PLAULMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed