SCHEMBL8029948

SCHEMBL8029948

C[n+]1c2ccccc2c(C(=O)[O-])c2ccccc21.N=C(Cl)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.36
TSHR P16473 1/20 0.33
HTT P42858 2/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL9034881 0.88 ACHE (0.38) ACHETSHRHTTLMNATP53
SCHEMBL8495949 0.82 ACHE (0.50) ACHECA2CA4
SCHEMBL31163696 0.82 ACHE (0.50) ACHECA2CA4
SCHEMBL8030046 0.82 ACHE (0.35) ACHECA1CA2CA4
SCHEMBL8997328 0.77 ACHE (0.42) ACHE
SCHEMBL8043422 0.73 ABCC9 (0.38)
Trifluoromethanesulfonic Acid SCHEMBL8332149 0.73 ACHE (0.40) ACHE
SCHEMBL7024186 0.72 ACHE (0.50) ACHE
Hydrochloric Acid SCHEMBL617362 0.71 ACHE (0.48) ACHE
SCHEMBL9397404 0.67 ACHE (0.53) ACHETSHR

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-0988288-A1 HETEROCYCLIC CHEMOLUMINESCENT DERIVATIVES BIOCODE S.A. (BE) 2000-03-29 EP claimed
WO-1998056765-A1 HETEROCYCLIC CHEMOLUMINESCENT DERIVATIVES BIOCODE S.A. (BE) 1998-12-17 WO claimed
EP-0988288-A1 HETEROCYCLIC CHEMOLUMINESCENT DERIVATIVES BIOCODE S.A. (BE) 2000-03-29 EP disclosed
WO-1998056765-A1 HETEROCYCLIC CHEMOLUMINESCENT DERIVATIVES BIOCODE S.A. (BE) 1998-12-17 WO disclosed