SCHEMBL7472196

SCHEMBL7472196

C[SiH](C)OC(CC1Oc2ccc([N+](=O)[O-])cc2NC1=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.44
MEN1 O00255 7/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.42
MAPT P10636 5/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.33
POLB P06746 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
SCHEMBL7471041 0.93 KMT2A (0.52) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7470594 0.84 USP2 (0.53) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7463472 0.83 HSD17B10 (0.48) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL8601457 0.83 USP2 (0.39) KMT2AMEN1GAAMAPK1USP2
SCHEMBL7475258 0.82 HSD17B10 (0.44) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7464320 0.82 USP2 (0.38) KMT2AMEN1GAAMAPTMAPK1
SCHEMBL7473281 0.81 MEN1 (0.38) KMT2AMEN1GAAMAPK1USP2
SCHEMBL7472425 0.81 PARP1 (0.45) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7476310 0.79 USP2 (0.45) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7468831 0.78 USP2 (0.42) KMT2AMEN1GAAUSP2HSD17B10

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 3 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
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed