SCHEMBL331179

SCHEMBL331179

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

nearest known ligand 0.58

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 14)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
PSIP1 O75475 1/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
ACHE P22303 4/20 0.38
BCHE P06276 2/20 0.38
NR3C2 P08235 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 1/20 0.33

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 SCHEMBL2386162 0.89 APOBEC3A (0.67) APOBEC3AAPOBEC3GPSIP1CA12CA2
SCHEMBL330632 0.88 APOBEC3A (0.50) APOBEC3AAPOBEC3GPSIP1CA12CA2
SCHEMBL331964 0.87 PSIP1 (0.41) APOBEC3AAPOBEC3GPSIP1CA12CA2
SCHEMBL330485 0.86 APOBEC3A (0.64) APOBEC3AAPOBEC3GPSIP1CA12CA2
Sulfuric Acid SCHEMBL5345726 0.86 APOBEC3A (0.64) APOBEC3AAPOBEC3GPSIP1CA12CA2
Sulfuric Acid SCHEMBL5345728 0.84 APOBEC3A (0.61) APOBEC3AAPOBEC3GCA12CA2CA9
SCHEMBL331180 0.83 APOBEC3A (0.58) APOBEC3AAPOBEC3GPSIP1ACHEBCHE
SCHEMBL239140 0.81 APOBEC3A (0.70) APOBEC3AAPOBEC3GPSIP1ACHEMAPK1
SCHEMBL330822 0.81 APOBEC3G (0.56) APOBEC3AAPOBEC3GPSIP1CA12CA2
SCHEMBL330936 0.81 PSIP1 (0.45) PSIP1CA12CA2CA9ACHE

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