SCHEMBL7473032

SCHEMBL7473032

O=C1C(CCO)Oc2ccccc2N1Cc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
GSK3B P49841 3/20 0.46
ADK P55263 2/20 0.46
TSHR P16473 3/20 0.44
PPARG P37231 3/20 0.44
SCN9A Q15858 1/20 0.42
XIAP P98170 6/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7474325 0.83 TSHR (0.65) HTTTSHRPPARGXIAPALDH1A1
SCHEMBL8555413 0.81 HTT (0.52) HTTTSHRPPARGALDH1A1SMN1; SMN2
SCHEMBL7468634 0.80 HTT (0.54) HTTL3MBTL1TSHRPPARGXIAP
SCHEMBL7476860 0.80 TSHR (0.64) HTTGSK3BADKTSHRPPARG
SCHEMBL7476552 0.79 GSK3B (0.54) HTTGSK3BADKTSHRPPARG
SCHEMBL7473291 0.77 TSHR (0.54) HTTGSK3BADKTSHRPPARG
SCHEMBL7471315 0.76 ALDH1A1 (0.68) HTTGSK3BADKTSHRXIAP
SCHEMBL7472305 0.76 TSHR (0.53) HTTGSK3BADKTSHRPPARG
SCHEMBL7470492 0.75 TSHR (0.53) HTTGSK3BTSHRXIAPMEN1
SCHEMBL7473140 0.75 TSHR (0.50) HTTGSK3BADKTSHRPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
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