SCHEMBL2257828

SCHEMBL2257828

NC(N)=NOc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
SLC22A3 O75751 1/20 0.42
PLAU P00749 1/20 0.42
LTA4H P09960 2/20 0.39
TSHR P16473 1/20 0.39
PRSS1 P07477 2/20 0.39
ACR P10323 1/20 0.39
TMPRSS15 P98073 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL14667496 0.75 CA4 (0.42) LTA4HTSHRCA5ACA5BLMNA
SCHEMBL28231065 0.74 ALDH1A1 (0.41) PARP10KMT2ALMNACYP1A2MAOA
SCHEMBL8998709 0.73 USP2 (0.43) PRSS1ACRTMPRSS15PARP10KMT2A
SCHEMBL14667491 0.71 MAPT (0.39) LTA4HTSHRCA5ACA5BKMT2A
SCHEMBL31173462 0.71 MAPT (0.39) LTA4HTSHRCA5ACA5BKMT2A
SCHEMBL9052201 0.70
SCHEMBL14667488 0.70 CA4 (0.42) LTA4HTSHRKMT2ALMNACYP1A2
SCHEMBL13505497 0.70 CA5A (0.38) LTA4HTSHRCA5ACA5BKMT2A
SCHEMBL9175243 0.69 MAPT (0.44) KMT2AUSP2TAAR1
SCHEMBL12057067 0.69 L3MBTL1 (0.37) LTA4HTSHRKMT2ALMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356457-B1 METHOD FOR THE PREPARATION OF IMMUNOCONJUGATES AND USE THEREOF XEPTAGEN SPA (IT) 2018-05-16 EP disclosed
US-20110207155-A1 Method for the preparation of immunoconjugates and use thereof XEPTAGEN SPA (IT) 2011-08-25 US disclosed
EP-2356457-A1 METHOD FOR THE PREPARATION OF IMMUNOCONJUGATES AND USE THEREOF Xeptagen SPA (IT) 2011-08-17 EP disclosed
WO-2010043927-A1 METHOD FOR THE PREPARATION OF IMMUNOCONJUGATES AND USE THEREOF XEPTAGEN SPA (IT) 2010-04-22 WO disclosed
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
EP-0173320-A1 Substituted carbonylphenylsulfonyl guanidines BAYER AG (DE) 1986-03-05 EP disclosed
EP-0173319-A1 Substituted arylsulfonyl guanidines BAYER AG (DE) 1986-03-05 EP disclosed
EP-0173321-A1 Sulfonyl-guanidinopyrimidine derivatives BAYER AG (DE) 1986-03-05 EP disclosed