SCHEMBL7478261

SCHEMBL7478261

O=C1Nc2cc(Cl)cc(Cl)c2OC1CCO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.35
CES1 P23141 1/20 0.35
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1B1 P15121 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL7465296 0.77 MEN1 (0.33) HSD17B10MAPK1TP53POLBSMN1; SMN2
SCHEMBL7468675 0.77 L3MBTL1 (0.63) L3MBTL1HSD17B10MAPK1TP53POLB
SCHEMBL5671638 0.74 PARP1 (0.44) CES1TRPV1AKR1B1HTR6
SCHEMBL4971251 0.71 BRD4 (0.41) HSD17B10CES1MEN1KMT2AAKR1B1
SCHEMBL4970185 0.71 BRD4 (0.41) HSD17B10CES1MEN1KMT2AAKR1B1
SCHEMBL4967477 0.71 BRD4 (0.41) HSD17B10CES1MEN1KMT2AAKR1B1
SCHEMBL16606898 0.70 L3MBTL1 (0.52) L3MBTL1HSD17B10MAPK1TP53POLB
SCHEMBL7465311 0.70 HSD17B10 (0.31) HSD17B10
SCHEMBL3591936 0.69 L3MBTL1 (0.44) L3MBTL1HSD17B10MAPK1TP53CYP3A4
SCHEMBL7288322 0.69 HSD17B10 (0.42) HSD17B10TP53POLBSMN1; SMN2ALDH1A1

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