SCHEMBL21716637

SCHEMBL21716637

C=Cc1ccc(C[N+](C)(C)CCCNC(=O)C(=C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PSMD14 O00487 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 1/20 0.33
MC4R P32245 1/20 0.33
RAD52 P43351 1/20 0.33
PLAAT3 P53816 2/20 0.32
PLAAT5 Q96KN8 2/20 0.32
PLAAT2 Q9NWW9 2/20 0.32
PLAAT4 Q9UL19 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL18314761 0.91 BCHE (0.40) SMN1; SMN2NPC1ALDH1A1RAB9AKMT2A
Hydrochloric Acid SCHEMBL17786193 0.87 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2AATMPSMD14
SCHEMBL18314766 0.87 PSMD14 (0.40) SMN1; SMN2KMT2ABCHEACHEPSMD14
SCHEMBL17555032 0.84 DNM1 (0.48) SMN1; SMN2NPC1ALDH1A1RAB9AKMT2A
Hydrochloric Acid SCHEMBL1840256 0.83 KMT2A (0.49) SMN1; SMN2NPC1ALDH1A1RAB9AKMT2A
Bromide SCHEMBL29825165 0.83 DNM1 (0.49) SMN1; SMN2NPC1ALDH1A1RAB9AKMT2A
Sulfuric Acid SCHEMBL6476044 0.79 PLAAT5 (0.43) SMN1; SMN2NPC1ALDH1A1RAB9AKMT2A
SCHEMBL13852367 0.78 PSMD14 (0.45) SMN1; SMN2ALDH1A1KMT2APSMD14HSP90AA1
SCHEMBL16319751 0.77 ZDHHC20 (0.46) SMN1; SMN2ALDH1A1KMT2AATMPSMD14
Hydrochloric Acid SCHEMBL29598620 0.77 HPGD (0.37) SMN1; SMN2ALDH1A1RAB9AKMT2ABCHE

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
US-20200048421-A1 CATION-EXCHANGE POLYMER AND METHODS OF PRODUCTION BL TECHNOLOGIES INC (US) 2020-02-13 US disclosed