SCHEMBL9322100

SCHEMBL9322100

O=c1ccn(C2CCCCC2)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33
MPI P34949 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32

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
SCHEMBL11054514 0.60 HCAR1 (0.38) ALDH1A1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL80964 0.60 GSK3A (0.39) GSK3AGSK3BALDH1A1SMN1; SMN2KMT2A
SCHEMBL7190295 0.60 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL10261468 0.58 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL10260482 0.58 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL14045645 0.58 CYP2C9 (0.53) ALDH1A1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL11847806 0.58 GSK3A (0.54) GSK3AGSK3BALDH1A1SMN1; SMN2KMT2A
SCHEMBL25118469 0.58 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL1059882 0.58 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL24079397 0.58 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2ACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331319-B1 Method for the formation of images KONISHIROKU PHOTO IND (JP) 1994-01-26 EP disclosed
EP-0331319-A1 Method for the formation of images KONICA CORPORATION (JP) 1989-09-06 EP disclosed