SCHEMBL7468675

SCHEMBL7468675

O=C1Nc2cc(Cl)ccc2OC1CCO

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
HSD17B10 Q99714 1/20 0.56
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 1/20 0.50
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
USP2 O75604 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PARP1 P09874 1/20 0.41
MAPT P10636 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
SCHEMBL10678266 0.83 HSD17B10 (0.51) L3MBTL1HSD17B10TP53POLBSMN1; SMN2
SCHEMBL18209180 0.83 L3MBTL1 (0.63) L3MBTL1HSD17B10MAPK1TSHRALDH1A1
SCHEMBL3597209 0.83 L3MBTL1 (0.63) L3MBTL1HSD17B10TP53POLBSMN1; SMN2
SCHEMBL2101384 0.83 L3MBTL1 (0.63) L3MBTL1HSD17B10TP53POLBSMN1; SMN2
SCHEMBL7476434 0.83 L3MBTL1 (0.63) L3MBTL1HSD17B10TP53MAPK1TSHR
SCHEMBL20414554 0.83 L3MBTL1 (0.63) L3MBTL1HSD17B10TP53POLBSMN1; SMN2
SCHEMBL7460746 0.83 L3MBTL1 (0.67) L3MBTL1HSD17B10TSHRALDH1A1USP2
SCHEMBL17055837 0.83 L3MBTL1 (0.63) L3MBTL1HSD17B10MAPK1TSHRALDH1A1
SCHEMBL11831795 0.82 HSD17B10 (0.61) L3MBTL1HSD17B10TP53POLBSMN1; SMN2
SCHEMBL13061281 0.81 L3MBTL1 (0.60) L3MBTL1HSD17B10TP53POLBSMN1; SMN2

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