SCHEMBL3656264

SCHEMBL3656264

COS(=O)(=O)O.Oc1ccc2ccccc2n1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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
CYP1A2 P05177 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CNR2 P34972 3/20 0.41
MGAM O43451 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
PRNP P04156 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NCF1 P14598 3/20 0.39
AR P10275 1/20 0.39
LMNA P02545 1/20 0.38

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 SCHEMBL434092 0.87 MGAM (0.47) CYP1A2CA12CA9CNR2MGAM
Sulfuric Acid SCHEMBL29378161 0.87 MGAM (0.47) CYP1A2CA12CA9CNR2MGAM
Fluoride SCHEMBL28218526 0.86 NCF1 (0.46) CYP1A2CNR2MGAMALDH1A1PRNP
Sulfuric Acid SCHEMBL31183024 0.85 MGAM (0.46) CYP1A2CA12CA9CNR2MGAM
Sulfuric Acid SCHEMBL412226 0.85 MGAM (0.46) CYP1A2CA12CA9CNR2MGAM
Sulfuric Acid SCHEMBL27909567 0.85 MGAM (0.46) CYP1A2CA12CA9CNR2MGAM
Quinaldine SCHEMBL28214171 0.83 CYP1A2 (0.66) CYP1A2CA12CA9CNR2MGAM
Sulfuric Acid SCHEMBL412224 0.82 MGAM (0.43) CYP1A2CA12CA9CNR2MGAM
SCHEMBL84064 0.81 NCF1 (0.52) CYP1A2CA12CA9CNR2MGAM
SCHEMBL29376435 0.81 NCF1 (0.52) CYP1A2CA12CA9CNR2MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217204-B1 COMPOSITIONS FOR THE TOPICAL PROTECTION OF THE OCULAR TISSUES FROM THE DAMAGING EFFECTS OF ULTRAVIOLET RADIATIONS BRUSCHETTINI SRL (IT) 2017-06-28 EP disclosed
EP-2217204-A2 COMPOSITIONS FOR THE TOPICAL PROTECTION OF THE OCULAR TISSUES FROM THE DAMAGING EFFECTS OF ULTRAVIOLET RADIATIONS Bruschettini S.r.l. (IT) 2010-08-18 EP disclosed
WO-2009059748-A2 COMPOSITIONS FOR THE TOPICAL PROTECTION OF THE OCULAR TISSUES FROM THE DAMAGING EFFECTS OF ULTRAVIOLET RADIATIONS BRUSCHETTINI S.R.L. (IT) 2009-05-14 WO disclosed
EP-2057983-A1 Compositions for the topical protection of the ocular tissues from the damaging effects of ultraviolet radiations Bruschettini S.r.l. (IT) 2009-05-13 EP disclosed