SCHEMBL4602646

SCHEMBL4602646

O=C(CCS)N1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.65
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 3/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
NAAA Q02083 1/20 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
SCHEMBL8285857 0.98 ATM (0.62) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL18928680 0.84 ATM (0.71) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL8133040 0.79
SCHEMBL2645083 0.77 ATM (0.68) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL19574089 0.77 ATM (0.95) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL5518648 0.77 ATM (0.68) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL14041701 0.77 ATM (0.68) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL4603153 0.77 ATM (0.54) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL10722542 0.77 ATM (0.85) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL27487132 0.77 ATM (0.85) ATMALDH1A1SMN1; SMN2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021046437-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 WO disclosed
EP-3650484-A1 KIDNEY-TARGETING DRUG DELIVERY CARRIER Kyoto Pharmaceutical University (JP) 2020-05-13 EP disclosed
US-9688628-B1 Drug repositioning: urease inhibitory activity of (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid (captopril) KHAN JALALUDDIN AZAM JALAL (SA) 2017-06-27 US disclosed
EP-1694748-B1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES CO (US) 2008-04-23 EP disclosed
US-7273531-B2 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-25 US disclosed
EP-1694748-A1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M Innovative Properties Company (US) 2006-08-30 EP disclosed
WO-2005047373-A1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-26 WO disclosed
US-20050092429-A1 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY 2005-05-05 US disclosed