SCHEMBL8556736

SCHEMBL8556736

N=C(N)NCCc1ccc(OCCC2Oc3ccccc3N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 6/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
CACNA1C Q13936 1/20 0.39
APP P05067 3/20 0.38
SNCA P37840 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL8554026 0.94 KCNH2 (0.41) KCNH2ALDH1A1MAPTTP53KMT2A
SCHEMBL8555600 0.92 SIRT2 (0.43) SIRT2SIRT1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL8604248 0.89 ALDH1A1 (0.38) SIRT2SIRT1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL8557727 0.89 GSK3B (0.47) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR
SCHEMBL8604494 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL8595844 0.89 TSHR (0.45) ALDH1A1SMN1; SMN2TSHRTP53
SCHEMBL7470321 0.88 NPFFR1 (0.36) KCNH2ALDH1A1TSHRMAPTTP53
SCHEMBL8551402 0.88 MEN1 (0.39) KCNH2ALDH1A1TSHRMAPTTP53
Hydrochloric Acid SCHEMBL7462740 0.88 NPFFR1 (0.36) KCNH2ALDH1A1TSHRMAPTTP53
Hydrochloric Acid SCHEMBL8602861 0.88 MEN1 (0.39) KCNH2ALDH1A1SMN1; SMN2MAPTTP53

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 3 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
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed