SCHEMBL330944

SCHEMBL330944

CCS(=O)(=O)[O-].C[N+](C)(C)Cc1ccccc1

nearest known ligand 0.65

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
PSIP1 O75475 1/20 0.43
DNM1 Q05193 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
HTT P42858 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40

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
Sulfuric Acid SCHEMBL229799 0.92 KDM4E (0.71) KDM4EALDH1A1TDP1PSIP1DNM1
Sulfuric Acid SCHEMBL7637635 0.90 KDM4E (0.68) KDM4EALDH1A1TDP1PSIP1DNM1
SCHEMBL332134 0.90 KDM4E (0.68) KDM4EALDH1A1TDP1PSIP1DNM1
Sulfuric Acid SCHEMBL2243812 0.90 KDM4E (0.68) KDM4EALDH1A1TDP1PSIP1DNM1
SCHEMBL330838 0.89 KDM4E (0.57) KDM4EALDH1A1TDP1PSIP1DNM1
Sulfuric Acid SCHEMBL229801 0.88 KDM4E (0.65) KDM4EALDH1A1TDP1PSIP1DNM1
SCHEMBL7593383 0.88 DNM1 (0.50) KDM4EALDH1A1TDP1PSIP1DNM1
Thiosulfuric Acid SCHEMBL8424192 0.88 KDM4E (0.65) KDM4EALDH1A1TDP1PSIP1DNM1
Thiosulfuric Acid SCHEMBL8424190 0.88 KDM4E (0.65) KDM4EALDH1A1TDP1PSIP1DNM1
SCHEMBL331215 0.86 KDM4E (0.63) KDM4EALDH1A1TDP1PSIP1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
US-8304507-B2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2012-11-06 US disclosed
EP-2407498-A2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material Mitsui Chemicals, Inc. (JP) 2012-01-18 EP disclosed
US-20110112269-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-05-12 US disclosed
EP-2295484-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2011-03-16 EP disclosed