SCHEMBL8693473

SCHEMBL8693473

CCOC(=O)/C(=C\NC1CC1)C(=O)c1c(C)nc(Cl)c(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2D6 P10635 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 4/20 0.32
DHODH Q02127 3/20 0.32
CHRM4 P08173 1/20 0.32
HPGD P15428 2/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 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
SCHEMBL7850451 1.00 NPSR1 (0.35) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL7850333 0.86 NPSR1 (0.33) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL5704364 0.80 ALDH1A1 (0.35) NPSR1MEN1KMT2AMAPTCYP2D6
SCHEMBL5704365 0.80 ALDH1A1 (0.35) NPSR1MEN1KMT2AMAPTCYP2D6
SCHEMBL9085697 0.80 NPSR1 (0.34) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL9085693 0.80 NPSR1 (0.34) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL7841742 0.80 NPSR1 (0.42) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL8694662 0.80 NPSR1 (0.42) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL8693333 0.79 NPSR1 (0.35) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL9134690 0.79 NPSR1 (0.34) NPSR1MEN1KMT2AMAPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811433-A ANTIMICROBIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-09-22 US disclosed