SCHEMBL330936

SCHEMBL330936

CCS(=O)(=O)[O-].CC[N+](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

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
PSIP1 O75475 1/20 0.45
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HSD11B1 P28845 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
KIF11 P52732 1/20 0.36
HTR6 P50406 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
THPO P40225 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS2 P35354 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL332017 0.92 PSIP1 (0.45) PSIP1CA12CA2CA9BCHE
SCHEMBL330745 0.89 PSIP1 (0.39) PSIP1CA12CA2CA9TDP1
SCHEMBL330925 0.88 PSIP1 (0.47) PSIP1CA12CA2CA9BCHE
SCHEMBL125687 0.84 APOBEC3A (0.46) PSIP1ACHELMNAMAPK1TDP1
SCHEMBL330886 0.83 LMNA (0.54) CA12CA2CA9BCHEACHE
SCHEMBL330937 0.83 PSIP1 (0.45) PSIP1HSD11B1LMNAHTR6TDP1
SCHEMBL332018 0.83 PSIP1 (0.45) PSIP1CA12CA2HSD11B1LMNA
Water SCHEMBL2149535 0.82 APOBEC3A (0.43) PSIP1ACHELMNAMAPK1TDP1
Fluoride Ion SCHEMBL1502858 0.82 APOBEC3A (0.43) PSIP1ACHELMNATDP1ALDH1A1
Bromide SCHEMBL637557 0.82 APOBEC3A (0.43) PSIP1ACHELMNATDP1ALDH1A1

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