SCHEMBL7477378

SCHEMBL7477378

O=C1C(CCO)Oc2ccccc2N1Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
PPARG P37231 5/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 2/20 0.41
XIAP P98170 1/20 0.40
RIPK1 Q13546 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7472305 0.81 TSHR (0.53) ALDH1A1MEN1KMT2APKMPPARG
SCHEMBL7476860 0.81 TSHR (0.64) LMNAALDH1A1MEN1KMT2APPARG
SCHEMBL7473291 0.78 TSHR (0.54) ALDH1A1MEN1KMT2APPARGHTT
SCHEMBL7474325 0.77 TSHR (0.65) SIRT1LMNAALDH1A1PPARGHTT
SCHEMBL7472920 0.77 TSHR (0.56) ALDH1A1MEN1KMT2APPARGHTT
SCHEMBL7471315 0.77 ALDH1A1 (0.68) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL7476998 0.76 TSHR (0.52) LMNAALDH1A1MEN1KMT2APPARG
SCHEMBL7473032 0.75 HTT (0.52) ALDH1A1MEN1KMT2APPARGHTT
SCHEMBL7476552 0.75 GSK3B (0.54) LMNAALDH1A1MEN1KMT2APKM
SCHEMBL8555413 0.75 HTT (0.52) SIRT1ALDH1A1PPARGHTTTSHR

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