SCHEMBL8558097

SCHEMBL8558097

N=C(N)NCCc1ccc(OCCC2Oc3ccncc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 4/20 0.36
ROCK2 O75116 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.33
KLKB1 P03952 2/20 0.32
XIAP P98170 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL7469178 0.91 LMNA (0.42) KMT2ATP53SMN1; SMN2LMNAMAPT
SCHEMBL8603405 0.91 TSHR (0.42) KMT2AMEN1TP53SMN1; SMN2NPC1
SCHEMBL8554377 0.89 LMNA (0.37) KMT2ATP53SMN1; SMN2NPC1LMNA
SCHEMBL8551162 0.88 TSHR (0.39) KMT2AMEN1TP53SMN1; SMN2GAA
SCHEMBL8604688 0.87 GSK3B (0.40) KMT2AMEN1TP53SMN1; SMN2LMNA
SCHEMBL7465815 0.87 TSHR (0.40) TP53SMN1; SMN2GAALMNAMAPT
SCHEMBL7463274 0.87 LMNA (0.37) KMT2AMEN1TP53SMN1; SMN2NPC1
SCHEMBL8602448 0.87 HIF1A (0.39) KMT2ATP53SMN1; SMN2LMNAMAPT
SCHEMBL8555228 0.86 LMNA (0.37) KMT2AMEN1TP53SMN1; SMN2NPC1
SCHEMBL7468335 0.86 TP53 (0.35) KMT2ATP53SMN1; SMN2NPC1LMNA

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