SCHEMBL11564698

SCHEMBL11564698

CC(C)(C)OC(=O)N[CH]c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
MAPK10 P53779 1/20 0.42
METAP1 P53582 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL10431722 0.78 LMNA (0.43) LMNAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL23009201 0.78 RAB9A (0.63) LMNAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL399012 0.76 GAA (0.50) LMNAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL1647598 0.73 NFKB1 (0.49) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL8222555 0.73 LMNA (0.59) LMNAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL11347574 0.72 MAPT (0.51) LMNAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL11563626 0.70 HDAC3 (0.45) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6179675 0.70 GAA (0.48) LMNAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL7654224 0.69 RAB9A (0.51) LMNAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL1163822 0.69 CTSK (0.60) LMNAMAPTSMN1; SMN2KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-4008231-A Preparation of 3-methoxymethylcephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed