SCHEMBL7530814

SCHEMBL7530814

O=[C]Nc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
VCAM1 P19320 6/20 0.53
P2RX1 P51575 1/20 0.48
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.46
MERTK Q12866 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4220779 0.84 TSHR (0.52) MEN1KMT2AMAPTLMNAGAA
SCHEMBL7528435 0.79 ALDH1A1 (0.55) MEN1KMT2AMAPTLMNAATM
SCHEMBL7529721 0.79 LMNA (0.54) MEN1KMT2AMAPTLMNAGAA
SCHEMBL25244989 0.79 MEN1 (0.56) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11876453 0.79 VCAM1 (0.58) MEN1KMT2AMAPTLMNAGAA
Hydrochloric Acid SCHEMBL27825662 0.77 VCAM1 (0.57) MEN1KMT2AMAPTLMNAGAA
SCHEMBL7530821 0.76 VCAM1 (0.62) MEN1KMT2AMAPTLMNAGAA
SCHEMBL9820882 0.76 MEN1 (0.54) MEN1KMT2AMAPTLMNAGAA
SCHEMBL5187322 0.76 MEN1 (0.85) MEN1KMT2AMAPTLMNAGAA
SCHEMBL2095962 0.75 EPHX1 (0.52) MEN1KMT2AMAPTLMNAGAA

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
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed