SCHEMBL7472425

SCHEMBL7472425

C[SiH](C)OC(CC1Oc2ccccc2NC1=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
USP2 O75604 1/20 0.39

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
SCHEMBL7473281 0.86 MEN1 (0.38) PARP1TSHRKMT2AMEN1MAPK1
SCHEMBL7468831 0.85 USP2 (0.42) TSHRKMT2AMEN1HSD17B10GAA
SCHEMBL7470594 0.85 USP2 (0.53) MAPTTHRBTSHRALDH1A1KMT2A
SCHEMBL8601457 0.84 USP2 (0.39) TP53TSHRKMT2AMEN1MAPK1
SCHEMBL7463472 0.84 HSD17B10 (0.48) PARP1TP53MAPTTSHRALDH1A1
SCHEMBL7468492 0.84 BRD4 (0.39) TP53ALDH1A1KMT2AMEN1GAA
SCHEMBL7478473 0.83 KMT2A (0.42) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL7475258 0.83 HSD17B10 (0.44) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL7469532 0.83 TP53 (0.30) TP53KMT2AMEN1
SCHEMBL7464320 0.82 USP2 (0.38) MAPTTSHRKMT2AMEN1MAPK1

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