SCHEMBL7471041

SCHEMBL7471041

C[SiH](C)OC(CC1Oc2cc([N+](=O)[O-])ccc2NC1=O)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 6/20 0.52
ALDH1A1 P00352 5/20 0.52
GAA P10253 1/20 0.50
MAPT P10636 6/20 0.47
MAPK1 P28482 1/20 0.47
BRD4 O60885 3/20 0.38
CREBBP Q92793 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PGR P06401 1/20 0.34
SNCA P37840 2/20 0.33
CAPN9 O14815 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL7472196 0.93 KMT2A (0.44) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7468831 0.85 USP2 (0.42) KMT2AMEN1GAABRD4CREBBP
SCHEMBL7468492 0.84 BRD4 (0.39) KMT2AMEN1ALDH1A1GAABRD4
SCHEMBL7478473 0.83 KMT2A (0.42) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7472425 0.82 PARP1 (0.45) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7470594 0.79 USP2 (0.53) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL8601457 0.78 USP2 (0.39) KMT2AMEN1GAAMAPK1BRD4
SCHEMBL7463472 0.78 HSD17B10 (0.48) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7471024 0.78 KMT2A (0.45) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7475258 0.77 HSD17B10 (0.44) KMT2AMEN1ALDH1A1GAAMAPT

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