SCHEMBL11820171

SCHEMBL11820171

Cc1ccsc1NC(=O)CCCl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.46
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
MAPK8 P45983 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8090363 0.79 MAPT (0.43) GSK3BRAB9ANPC1MAPTHPGD
SCHEMBL11777129 0.78 GSK3B (0.43) GSK3BRAB9ANPC1MAPTHPGD
SCHEMBL5049650 0.77 PKM (0.45) GSK3BRAB9ANPC1MAPTHPGD
SCHEMBL6857304 0.77 PTPN2 (0.48) GSK3BRAB9ANPC1MAPTHPGD
SCHEMBL14218016 0.76 PTPN1 (0.50) RAB9ANPC1MAPTHPGDTP53
SCHEMBL12213152 0.76 PTK2 (0.59) GSK3BRAB9ANPC1MAPTHPGD
SCHEMBL3337813 0.74 PTK2 (0.49) RAB9ANPC1MAPTHPGDTP53
SCHEMBL765316 0.74 SMN1; SMN2 (0.56) GSK3BRAB9ANPC1MAPTHPGD
SCHEMBL6924499 0.71 HDAC3 (0.65) MAPTTP53L3MBTL1POLBGAA
SCHEMBL7782661 0.70 TP53 (0.49) RAB9ANPC1MAPTHPGDTP53

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
US-3958974-A Herbicidal N-aryl substituted azetidinones VELSICOL CHEMICAL CORPORATION (US) 1976-05-25 US disclosed