SCHEMBL7478462

SCHEMBL7478462

COc1ccc2c(c1)OC(C(CC(C)(C)C)O[SiH](C)C)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
BRD4 O60885 6/20 0.35
CREBBP Q92793 5/20 0.35
CA2 P00918 2/20 0.35
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAOB P27338 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7475251 0.92 HSD17B10 (0.40) KMT2AMEN1MAPTMAPK1CA2
SCHEMBL7468810 0.87 BRD4 (0.38) KMT2AMEN1MAPTBRD4CREBBP
SCHEMBL7468474 0.86 BRD4 (0.35) BRD4MAOB
SCHEMBL7471024 0.83 KMT2A (0.45) KMT2AMEN1MAPTMAPK1BRD4
SCHEMBL7472405 0.83 PARP1 (0.45) KMT2AMEN1MAPTMAPK1BRD4
SCHEMBL7470575 0.81 USP2 (0.45) KMT2AMEN1MAPTBRD4CREBBP
SCHEMBL7463447 0.80 HSD17B10 (0.41) MAPK1HSD17B10TP53ALDH1A1
SCHEMBL7472656 0.80 USP2 (0.33) MAPK1HSD17B10
SCHEMBL7464298 0.78 ACE2 (0.35) KMT2AMEN1MAPTHSD17B10TP53
SCHEMBL7476297 0.78 ALOX5 (0.42) KMT2AMEN1MAPTHSD17B10ALDH1A1

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