SCHEMBL7473395

SCHEMBL7473395

O=C1C(CCO)Oc2c(Cl)cc(Cl)cc2N1Cc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
CASP6 P55212 1/20 0.38
XIAP P98170 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 1/20 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
SCHEMBL7476798 0.85 TSHR (0.51) MAPK1MAPTKMT2AMEN1NPSR1
SCHEMBL7470492 0.83 TSHR (0.53) MAPK1MAPTKMT2AMEN1NPSR1
SCHEMBL7478778 0.80 TSHR (0.64) MAPK1MAPTKMT2AMEN1NPSR1
SCHEMBL7470805 0.79 TSHR (0.54) MAPK1MAPTKMT2AMEN1NPSR1
SCHEMBL7465749 0.79 GSK3B (0.48) MAPK1MAPTKMT2AMEN1NPSR1
SCHEMBL7477248 0.79 KMT2A (0.50) KDM4EMAPK1MAPTKMT2AMEN1
SCHEMBL7461596 0.78 TSHR (0.46) MAPK1MAPTKMT2AMEN1NPSR1
SCHEMBL7475256 0.77 LMNA (0.45) MAPK1MAPTKMT2AMEN1NPSR1
SCHEMBL7476998 0.76 TSHR (0.52) MAPK1KMT2AMEN1NPSR1ALDH1A1
SCHEMBL7472359 0.76 CASP1 (0.43) KDM4EMAPK1MAPTKMT2AMEN1

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