SCHEMBL8556732

SCHEMBL8556732

CC(N=C(N)N)c1ccc(OCCC2Oc3ccccc3N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.39
PPARG P37231 11/20 0.38
APP P05067 3/20 0.38
MAPT P10636 3/20 0.38
SNCA P37840 3/20 0.38

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
SCHEMBL8555598 0.92 SIRT2 (0.43) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR
SCHEMBL8557722 0.90 GSK3B (0.45) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR
SCHEMBL8595841 0.89 TSHR (0.44) ALDH1A1SMN1; SMN2TSHRPPARG
SCHEMBL8551399 0.88 KMT2A (0.36) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7470317 0.87 TSHR (0.38) TSHRPPARG
Hydrochloric Acid SCHEMBL7462732 0.86 TSHR (0.37) TSHRPPARG
SCHEMBL8552816 0.82 PPARG (0.46) PPARG
SCHEMBL8556736 0.80 SIRT2 (0.41) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR
SCHEMBL7465812 0.79 TSHR (0.41) ALDH1A1SMN1; SMN2TSHRKMT2AMAPT
SCHEMBL7473595 0.75 SIRT2 (0.50) SIRT2SIRT1ALDH1A1SMN1; SMN2TSHR

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