SCHEMBL7779177

SCHEMBL7779177

CC(C)(C)OC(=O)COc1ccc2ncsc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HKDC1 Q2TB90 1/20 0.44
ALDH1A1 P00352 3/20 0.44
NTRK1 P04629 2/20 0.43
NTRK2 Q16620 2/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL7780171 0.80 KDM4E (0.55) KDM4ERAB9ANPC1TDP1MEN1
SCHEMBL25738291 0.78 CA12 (0.57) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL622328 0.78 KDM4E (0.47) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL31078939 0.75 RAB9A (0.49) KDM4ERAB9ANPC1TDP1MEN1
SCHEMBL14652405 0.75 MAPT (0.53) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL17652044 0.74 SMN1; SMN2 (0.64) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL17024452 0.74 LMNA (0.53) KDM4EKMT2AALDH1A1PSEN1PSEN2
SCHEMBL4160781 0.74 ALDH1A1 (0.60) KDM4ERAB9ANPC1TDP1MEN1
SCHEMBL6654340 0.74 LMNA (0.58) KDM4ERAB9ANPC1TDP1MEN1
SCHEMBL5515918 0.74 PSEN1 (0.49) RAB9ANPC1TDP1MEN1KMT2A

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-1135377-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-09-26 EP disclosed
WO-2000034254-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-06-15 WO disclosed