SCHEMBL7850226

SCHEMBL7850226

CCOC=C(C(=O)OCC)C(=O)c1c(C)nc(Cl)c(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.34
GLO1 Q04760 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 5/20 0.32
KDM4E B2RXH2 5/20 0.32
LMNA P02545 4/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP2D6 P10635 1/20 0.31
GAA P10253 2/20 0.31
GPR35 Q9HC97 2/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL8693324 1.00 NPSR1 (0.34) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL8693333 0.85 NPSR1 (0.35) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL7850451 0.78 NPSR1 (0.35) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL8693473 0.78 NPSR1 (0.35) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL9088063 0.77 MAPT (0.35) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL9088057 0.77 MAPT (0.35) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL7849855 0.76 NPSR1 (0.41) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL8693545 0.76 NPSR1 (0.41) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL8801560 0.76 NPSR1 (0.39) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL7850333 0.76 NPSR1 (0.33) NPSR1MEN1KMT2AMAPTKDM4E

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-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed