SCHEMBL9835446

SCHEMBL9835446

N#CCCN(CCC#N)c1ccc(C=O)c(OCCOc2cc(N(CCC#N)CCC#N)ccc2C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC16A3 O15427 4/20 0.40
SLC16A1 P53985 4/20 0.40
GAA P10253 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
THRB P10828 2/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR35 Q9HC97 1/20 0.34
MAOB P27338 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL11273102 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL10936725 0.78 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL9835918 0.77 ALDH1A1 (0.46) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL20954399 0.75 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL11823994 0.74 ALDH1A1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2SLC16A3SLC16A1
SCHEMBL9835437 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL2324164 0.73 ALDH1A1 (0.43) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL8137263 0.73 ALDH1A1 (0.41) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL14712980 0.72 ALDH1A1 (0.70) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL4379763 0.72 ALDH1A1 (0.54) ALDH1A1L3MBTL1HPGDSMN1; SMN2SLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215124-B1 SILVER HALIDE PHOTOGRAPHIC PHOTO-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1991-09-04 EP disclosed
US-4925782-A Silver halide photographic light-sensitive element containing water soluble dye compounds FUJI PHOTO FILM CO., LTD. (JP) 1990-05-15 US disclosed
EP-0215124-A1 SILVER HALIDE PHOTOGRAPHIC PHOTO-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1987-03-25 EP disclosed