SCHEMBL8552390

SCHEMBL8552390

CCOC(=O)C(C#N)Cc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
MAPT P10636 7/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.37
NPBWR1 P48145 1/20 0.37
RAB9A P51151 1/20 0.37
MCHR1 Q99705 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL29853528 0.79 MAPT (0.43) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL20718828 0.79 MAPT (0.43) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL28304724 0.79 KMT2A (0.51) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL12726296 0.76 MAPT (0.49) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL28305788 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPK1
SCHEMBL22165764 0.74 MAPT (0.49) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL20718858 0.74 NPC1 (0.42) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL1641895 0.74 MAPT (0.47) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL8552393 0.74 MAPT (0.46) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL2062103 0.73 SMN1; SMN2 (0.64) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2

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-0856002-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1998-08-05 EP disclosed
WO-1997009328-A1 PHENYLOXAZOLIDINONES HAVING A C-C BOND TO 4-8 MEMBERED HETEROCYCLIC RINGS PHARMACIA & UPJOHN COMPANY (US) 1997-03-13 WO disclosed