SCHEMBL7757274

SCHEMBL7757274

O=C(SC(=O)c1ccccc1N1CCOCC1)c1ccccc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
AKR1C3 P42330 2/20 0.48
ALDH1A1 P00352 8/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL28393741 0.84 MAPT (0.53) RAB9AMAPTPOLBAKR1C3ALDH1A1
SCHEMBL29816440 0.83 ALDH1A1 (0.57) MAPTPOLBAKR1C3ALDH1A1MEN1
SCHEMBL226006 0.83 ALDH1A1 (0.57) MAPTPOLBAKR1C3ALDH1A1MEN1
SCHEMBL1286677 0.81 ALDH1A1 (0.55) RAB9AMAPTPOLBAKR1C3ALDH1A1
Hydrochloric Acid SCHEMBL6208562 0.81 ALDH1A1 (0.56) MAPTPOLBAKR1C3ALDH1A1MEN1
SCHEMBL7757288 0.81 MAPT (0.50) RAB9AMAPTPOLBAKR1C3ALDH1A1
SCHEMBL6608136 0.81 AKR1C3 (0.53) RAB9AMAPTPOLBAKR1C3ALDH1A1
SCHEMBL325422 0.81 NPC1 (0.70) RAB9AMAPTPOLBAKR1C3ALDH1A1
SCHEMBL29410870 0.81 NPC1 (0.70) RAB9AMAPTPOLBAKR1C3ALDH1A1
SCHEMBL30384760 0.81 NPC1 (0.51) RAB9AMAPTPOLBAKR1C3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294698-B1 ENERGY-EFFICIENT PHOTOINITIATORS IN FORM OF ORGANIC SULFUR-CONTAINING COMPOUNDS KIMBERLY-CLARK WORLDWIDE, INC. 2001-09-25 US disclosed
EP-1080118-A1 NOVEL PHOTOINITIATORS AND APPLICATIONS THEREFOR Kimberly-Clark Worldwide, Inc. (US) 2001-03-07 EP disclosed
WO-1999054363-A1 NOVEL PHOTOINITIATORS AND APPLICATIONS THEREFOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 1999-10-28 WO disclosed