SCHEMBL7466727

SCHEMBL7466727

O=C1Nc2ccc(F)cc2OC1CCO

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
BRD4 O60885 8/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CREBBP Q92793 2/20 0.37
PGR P06401 1/20 0.37
USP2 O75604 1/20 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
SCHEMBL7476434 0.89 L3MBTL1 (0.63) L3MBTL1GAATP53CYP3A4TRPV1
SCHEMBL3598938 0.83 L3MBTL1 (0.53) L3MBTL1ALDH1A1GAACYP3A4TRPV1
SCHEMBL7465795 0.83 L3MBTL1 (0.56) L3MBTL1ALDH1A1GAABRD4MEN1
SCHEMBL12850583 0.82 TP53 (0.51) ALDH1A1GAATP53MEN1KMT2A
SCHEMBL7460760 0.80 L3MBTL1 (0.53) L3MBTL1ALDH1A1GAABRD4MEN1
SCHEMBL7476036 0.80 ALDH1A1 (0.67) L3MBTL1ALDH1A1GAACYP3A4BRD4
SCHEMBL5670577 0.79 L3MBTL1 (0.58) L3MBTL1ALDH1A1GAATP53MEN1
SCHEMBL23830643 0.78 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAACYP3A4TRPV1
SCHEMBL7468480 0.77 BRD4 (0.42) L3MBTL1ALDH1A1GAATP53BRD4
SCHEMBL26121628 0.77 IDO1 (0.44) ALDH1A1GAATP53BRD4MEN1

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