SCHEMBL20843604

SCHEMBL20843604

Cn1cc[n+](Cc2ccc(N)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHKA P35790 5/20 0.46
F2 P00734 2/20 0.36
PRSS1 P07477 1/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
NT5E P21589 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL12891425 0.91 CHKA (0.39) CHKABCHEACHENT5E
Iodide SCHEMBL2527841 0.84 CHKA (0.40) CHKALMNAALDH1A1BCHEACHE
SCHEMBL12014112 0.83 IDO1 (0.37) CHKAALDH1A1TDP1BCHEACHE
SCHEMBL20006152 0.82 CHKA (0.34) CHKAALDH1A1TSHRBCHEACHE
SCHEMBL6398845 0.82 NT5E (0.35) CHKABCHEACHENT5E
Hydrochloric Acid SCHEMBL6115480 0.82 CHKA (0.46) CHKALMNAALDH1A1BCHEACHE
SCHEMBL667064 0.81 CHKA (0.46) CHKALMNAALDH1A1
Iodide SCHEMBL13735549 0.81 CA1 (0.43) CHKAALDH1A1BCHEACHENT5E
Hydrochloric Acid SCHEMBL28638859 0.81 CHKA (0.33) CHKAALDH1A1BCHEACHENT5E
Hydrochloric Acid SCHEMBL382999 0.80 ALDH1A1 (0.46) CHKALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459975-A1 POLYMERIC ACID CATALYSTS AND USES THEREOF Cadena Bio, Inc. (US) 2019-03-27 EP disclosed