SCHEMBL13428302

SCHEMBL13428302

C[n+]1c(/C=C2/C=C(/C=C/C=C/c3cc4c5c(c3)CCCN5CCC4)CC(C)(C)C2)sc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR2F2 P24468 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ INSR P06213 1/20 0.31
▸ ADRB2 P07550 2/20 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
SCHEMBL14454740 0.78 SNCA (0.64) SNCAPOLBMAPTHTTNPSR1
SCHEMBL13194374 0.78 SNCA (0.64) SNCAPOLBMAPTHTTNPSR1
Iodide SCHEMBL10537076 0.74 NPC1 (0.52) SNCAPOLBALDH1A1PKMMAPT
Iodide SCHEMBL10537077 0.74 NPC1 (0.52) SNCAPOLBALDH1A1PKMMAPT
SCHEMBL5701141 0.72 INSR (0.61) POLBALDH1A1PKMMAPTHTT
SCHEMBL5701145 0.72 INSR (0.61) POLBALDH1A1PKMMAPTHTT
Iodide SCHEMBL1405415 0.70 NPC1 (0.44) SNCAPOLBALDH1A1PKMMAPT
Perchlorate SCHEMBL1532917 0.70 HTT (0.60) POLBALDH1A1PKMMAPTHTT
Perchlorate SCHEMBL1532916 0.70 HTT (0.60) POLBALDH1A1PKMMAPTHTT
SCHEMBL13171852 0.69 INSR (0.53) SNCAPOLBALDH1A1PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 — — US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 — — US disclosed
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