SCHEMBL7465749

SCHEMBL7465749

O=C1C(CCO)Oc2cc(F)ccc2N1Cc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.48
ADK P55263 3/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
XIAP P98170 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
UBE2N P61088 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37

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
SCHEMBL7469541 0.91 KMT2A (0.57) GSK3BADKKMT2AMEN1LMNA
SCHEMBL7470492 0.88 TSHR (0.53) GSK3BKMT2AMEN1LMNATSHR
SCHEMBL7470805 0.88 TSHR (0.54) GSK3BKMT2AMEN1LMNATSHR
SCHEMBL7476798 0.86 TSHR (0.51) KMT2AMEN1LMNATSHRUSP2
SCHEMBL7472359 0.84 CASP1 (0.43) KMT2AMEN1LMNATSHRUSP2
SCHEMBL7477205 0.84 KMT2A (0.67) GSK3BADKKMT2AMEN1LMNA
SCHEMBL7478778 0.82 TSHR (0.64) KMT2AMEN1LMNATSHRUSP2
SCHEMBL7475256 0.82 LMNA (0.45) KMT2AMEN1LMNATSHRUSP2
SCHEMBL7477248 0.81 KMT2A (0.50) KMT2AMEN1LMNATSHRUSP2
SCHEMBL7461596 0.80 TSHR (0.46) KMT2AMEN1LMNATSHRUSP2

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