SCHEMBL17845872

SCHEMBL17845872

CCOS(=O)(=O)[O-].CC[n+]1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 7/20 0.37
KDM4E B2RXH2 6/20 0.34
MEN1 O00255 6/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
PSMD14 O00487 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SLC19A2 O60779 1/20 0.33
USP2 O75604 1/20 0.33
CASP1 P29466 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PSIP1 O75475 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL29252549 0.85 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1POLBKMT2A
SCHEMBL5485690 0.80 HDAC8 (0.39) SMN1; SMN2RAB9AKMT2AKDM4EMEN1
Trifluoromethanesulfonic Acid SCHEMBL16700581 0.79 NPC1 (0.42) SMN1; SMN2RAB9ANPC1POLB
SCHEMBL29822577 0.79
SCHEMBL627705 0.79
SCHEMBL29252552 0.78 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1POLBKMT2A
Iodide SCHEMBL4316516 0.77 RAB9A (0.57) SMN1; SMN2RAB9ANPC1POLBKMT2A
Fluoride Ion SCHEMBL9326053 0.77 RAB9A (0.57) SMN1; SMN2RAB9ANPC1POLBKMT2A
Bromide SCHEMBL29573873 0.77 NPC1 (0.63) SMN1; SMN2RAB9ANPC1POLBKMT2A
Hydrochloric Acid SCHEMBL338519 0.77 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1POLBKMT2A

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-20170362349-A1 PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITATOR COVESTRO DEUTSCHLAND AG (DE) 2017-12-21 US disclosed
EP-3234021-A1 PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITIATOR Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
WO-2016096639-A1 PHOTOPOLYMER COMPRISING A NEW CLASS OF PHOTO INITIATOR COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO disclosed