SCHEMBL3659595

SCHEMBL3659595

COS(=O)(=O)O.Cc1ccc2ccc3ccccc3c2n1

nearest known ligand 0.48

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
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
METAP2 P50579 1/20 0.46
GLO1 Q04760 2/20 0.45
SLC40A1 Q9NP59 2/20 0.44
AGTR1 P30556 1/20 0.44
PAX8 Q06710 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PARP1 P09874 1/20 0.44
CCR1 P32246 1/20 0.44
RAB9A P51151 1/20 0.44
CCR5 P51681 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
NFKBIA P25963 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3655227 0.84 CCR1 (0.61) MAPTGAAMETAP2GLO1SLC40A1
Quinaldine SCHEMBL28214171 0.80 CYP1A2 (0.66) METAP2GLO1SLC40A1AGTR1PAX8
SCHEMBL11745121 0.77 KMT2A (0.45) MAPTGAAL3MBTL1RAB9AKMT2A
SCHEMBL28294717 0.75 CYP2A6 (0.70) MAPTL3MBTL1RAB9AKMT2AKDM4E
Naphthalene SCHEMBL28586134 0.74 CYP2A6 (0.42) MAPTGAAL3MBTL1RAB9AKMT2A
SCHEMBL27658260 0.71 SMN1; SMN2 (0.56) MAPTGAAMETAP2GLO1SLC40A1
8-Hydroxy Quinaldine SCHEMBL7555431 0.71 METAP2 (0.82) METAP2GLO1SLC40A1AGTR1PAX8
Quinoline SCHEMBL28273065 0.71 ALDH1A1 (0.55) MAPTGAAMETAP2L3MBTL1CCR1
Anthracene SCHEMBL31722820 0.70 CYP1A2 (0.43) GAAPAX8L3MBTL1KMT2AKDM4E
8-Hydroxy Quinaldine SCHEMBL28577004 0.70 METAP2 (0.79) MAPTGAAMETAP2L3MBTL1PARP1

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 12 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 claimed
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 claimed
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 claimed
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 claimed
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
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-A3 COMPOSITIONS FOR THE TOPICAL PROTECTION OF THE OCULAR TISSUES FROM THE DAMAGING EFFECTS OF ULTRAVIOLET RADIATIONS BRUSCHETTINI S.R.L. (IT) 2009-09-03 WO 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
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
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