SCHEMBL7477248

SCHEMBL7477248

O=C1C(CCO)Oc2ccncc2N1Cc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
ATM Q13315 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
XIAP P98170 1/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36

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 0.86 TSHR (0.51) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL7470492 0.86 TSHR (0.53) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL7478778 0.82 TSHR (0.64) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL7465749 0.81 GSK3B (0.48) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL7470805 0.81 TSHR (0.54) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL7461596 0.80 TSHR (0.46) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL7475256 0.80 LMNA (0.45) KMT2AMEN1LMNATSHRMAPK1
SCHEMBL7473395 0.79 KDM4E (0.40) KMT2AKDM4EMEN1HPGDLMNA
SCHEMBL7472359 0.78 CASP1 (0.43) KMT2AKDM4EMEN1HPGDLMNA
SCHEMBL7472305 0.78 TSHR (0.53) KMT2AMEN1TSHRSMN1; SMN2XIAP

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