SCHEMBL8551402

SCHEMBL8551402

N=C(N)NCCc1ccc(OCCC2Oc3cc([N+](=O)[O-])ccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 3/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
CACNA1C Q13936 1/20 0.35
KCNH2 Q12809 1/20 0.35
SLC29A1 Q99808 1/20 0.35
TSHR P16473 1/20 0.33
PKM P14618 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
Hydrochloric Acid SCHEMBL8602861 0.99 MEN1 (0.39) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL7471326 0.96 MEN1 (0.39) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL8604248 0.94 ALDH1A1 (0.38) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8554026 0.93 KCNH2 (0.41) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8603252 0.90 ALDH1A1 (0.41) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL8555600 0.90 SIRT2 (0.43) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8603405 0.90 TSHR (0.42) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL7465815 0.89 TSHR (0.40) LMNAL3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL8604688 0.89 GSK3B (0.40) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL7470321 0.89 NPFFR1 (0.36) MEN1KMT2AALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed