SCHEMBL8555598

SCHEMBL8555598

CC(N=C(N)N)c1ccc(OCCC2Oc3ccccc3N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PPARG P37231 5/20 0.37
FFAR1 O14842 1/20 0.35
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL8556732 0.92 SIRT2 (0.41) SIRT2SIRT1TSHRALDH1A1KMT2A
SCHEMBL8551399 0.91 KMT2A (0.36) SIRT2SIRT1TSHRALDH1A1HPGD
SCHEMBL8557722 0.86 GSK3B (0.45) SIRT2SIRT1TSHRALDH1A1SMN1; SMN2
SCHEMBL7470317 0.85 TSHR (0.38) TSHRHTTPPARG
Hydrochloric Acid SCHEMBL7462732 0.84 TSHR (0.37) TSHRHTTPPARG
SCHEMBL8595841 0.84 TSHR (0.44) TSHRALDH1A1SMN1; SMN2PPARG
SCHEMBL8551158 0.82 TSHR (0.38) SIRT2SIRT1TSHRALDH1A1HTT
SCHEMBL8552816 0.81 PPARG (0.46) PPARG
SCHEMBL7465812 0.81 TSHR (0.41) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8555600 0.81 SIRT2 (0.43) SIRT2SIRT1TSHRALDH1A1HPGD

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