SCHEMBL9145755

SCHEMBL9145755

CCOC(=O)/C(=C/NC1CC1)C(=O)c1ccc(Cl)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SLC6A12 P48065 1/20 0.38
MAPT P10636 7/20 0.37
KDM4E B2RXH2 4/20 0.37
DHODH Q02127 3/20 0.37
GAA P10253 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL9145758 1.00 NPSR1 (0.40) NPSR1MEN1KMT2ASLC6A12MAPT
SCHEMBL2082830 0.86 NPSR1 (0.38) NPSR1MEN1KMT2ASLC6A12MAPT
SCHEMBL2082832 0.86 NPSR1 (0.38) NPSR1MEN1KMT2ASLC6A12MAPT
SCHEMBL7956810 0.83 CYP2C19 (0.49) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL7956814 0.83 CYP2C19 (0.49) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL5256943 0.82 KEAP1 (0.40) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL5256945 0.82 KEAP1 (0.40) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL10551035 0.82 KEAP1 (0.40) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL18949530 0.80 MEN1 (0.41) NPSR1MEN1KMT2AMAPTKDM4E
SCHEMBL10375594 0.80 USP2 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed