SCHEMBL8554618

SCHEMBL8554618

CC(C)(C)OC(=O)NCCc1ccc(OCCC2Oc3cc([N+](=O)[O-])ccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
ALDH1A1 P00352 7/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC5A1 P13866 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8604584 0.90 KDM4E (0.45) KDM4EFNTAFNTBPGGT1BALDH1A1
SCHEMBL8605041 0.88 ALDH1A1 (0.38) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8551402 0.88 MEN1 (0.39) LMNAMEN1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL8602861 0.87 MEN1 (0.39) LMNAMEN1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL8643936 0.84 MAOB (0.43) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL7471326 0.84 MEN1 (0.39) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8603793 0.84 ALDH1A1 (0.45) LMNAALDH1A1TP53SMN1; SMN2SLC5A1
SCHEMBL8604456 0.83 TSHR (0.45) KDM4EFNTAFNTBPGGT1BALDH1A1
SCHEMBL8604248 0.82 ALDH1A1 (0.38) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8605054 0.81 TSHR (0.43) ALDH1A1MAPTTP53SMN1; SMN2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed