SCHEMBL8773248

SCHEMBL8773248

CC(N)(CO)CO.CC(N)(CO)CO.O=P(O)(O)Oc1ccc2nc(-c3nc4ccccc4s3)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA2 P00918 1/20 0.40
DDAH1 O94760 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
APP P05067 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
SCHEMBL8031606 0.89 MAPT (0.43) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL29350030 0.89 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL7598576 0.89 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL8773258 0.81 MAPT (0.43) MAPTCA2
SCHEMBL8031502 0.71 CA2 (0.50) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL8381667 0.69 MAOB (0.46) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL11058650 0.68 CA2 (0.68) KDM4EPKMKMT2ATDP1CA2
Phenyl Dihydrogen Phosphate SCHEMBL29249086 0.67 SRC (0.54) MAPTSMN1; SMN2RAB9ANPC1PKM
Phenyl Dihydrogen Phosphate SCHEMBL29249081 0.67 SRC (0.54) MAPTSMN1; SMN2RAB9ANPC1PKM
SCHEMBL8165788 0.66 INPPL1 (0.41) MAPTSMN1; SMN2RAB9ANPC1KMT2A

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-0424465-B1 PREPARATION AND USE OF FLUORESCENT BENZOTHIAZOLE DERIVATIVES JBL SCIENT INC (US) 1997-10-29 EP disclosed