SCHEMBL25882191

SCHEMBL25882191

CCOC(=O)C(=N)/C(Br)=C\NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPID Q08752 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DHODH Q02127 3/20 0.41
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NAMPT P43490 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL10861896 0.80 MAPT (0.60) SMN1; SMN2MAPTGAATDP1PPID
SCHEMBL25882263 0.79 MAPT (0.44) SMN1; SMN2MAPTGAATDP1PPID
SCHEMBL20204574 0.79 MAPT (0.52) SMN1; SMN2MAPTGAATDP1PPID
SCHEMBL19255773 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPTGAATDP1PPID
SCHEMBL10144042 0.77 MEN1 (0.53) SMN1; SMN2MAPTGAATDP1PPID
SCHEMBL20204575 0.76 MEN1 (0.51) SMN1; SMN2MAPTGAATDP1PPID
SCHEMBL21095906 0.75 ADH1B (0.44) SMN1; SMN2MAPTGAATDP1MEN1
SCHEMBL3562547 0.73 CDC25B (0.48) SMN1; SMN2MAPTGAATDP1PPID
SCHEMBL3562552 0.73 CDC25B (0.48) SMN1; SMN2MAPTGAATDP1PPID
SCHEMBL24709872 0.72 MAPT (0.44) SMN1; SMN2MAPTGAATDP1PPID

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
EP-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 EP disclosed