SCHEMBL25949155

SCHEMBL25949155

CCOC(=O)/C(=C/N)C(=N)I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.47
GLO1 Q04760 1/20 0.47
ALDH1A1 P00352 4/20 0.42
CYP2D6 P10635 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.37
DHODH Q02127 3/20 0.37
GAA P10253 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL14545783 0.84 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1543791 0.83 NPSR1 (0.58) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL18463656 0.82 NPSR1 (0.48) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL15172633 0.82 GLO1 (0.53) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL21737763 0.79 NPSR1 (0.46) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL16122236 0.78 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL14224608 0.78 GLO1 (0.69) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL10986214 0.78 NPSR1 (0.52) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL27877623 0.78 GLO1 (0.69) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL20282775 0.77

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
WO-2023133271-A1 BICYCLIC PHTHALAZIN-1(2H)-ONE DERIVATIVES AND RELATED USES NodThera Limited (GB) 2023-07-13 WO disclosed