SCHEMBL7757288

SCHEMBL7757288

O=C(S)c1ccccc1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
AKR1C3 P42330 2/20 0.49
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CYP1A2 P05177 2/20 0.48
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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 0.86 MAPT (0.53) MAPTPOLBAKR1C3ALDH1A1KMT2A
SCHEMBL29816440 0.84 ALDH1A1 (0.57) MAPTPOLBAKR1C3ALDH1A1KMT2A
SCHEMBL226006 0.84 ALDH1A1 (0.57) MAPTPOLBAKR1C3ALDH1A1KMT2A
SCHEMBL1286677 0.83 ALDH1A1 (0.55) MAPTPOLBAKR1C3ALDH1A1KMT2A
SCHEMBL29410870 0.83 NPC1 (0.70) MAPTPOLBAKR1C3ALDH1A1KMT2A
SCHEMBL325422 0.83 NPC1 (0.70) MAPTPOLBAKR1C3ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6208562 0.83 ALDH1A1 (0.56) MAPTPOLBAKR1C3ALDH1A1KMT2A
SCHEMBL6608136 0.83 AKR1C3 (0.53) MAPTPOLBAKR1C3ALDH1A1KMT2A
SCHEMBL7757274 0.81 RAB9A (0.49) MAPTPOLBAKR1C3ALDH1A1KMT2A
Bromide SCHEMBL6256143 0.81 NPC1 (0.68) MAPTPOLBAKR1C3ALDH1A1KMT2A

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