SCHEMBL20847841

SCHEMBL20847841

C=Cc1cc[n+](CCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.54
ALDH1A1 P00352 2/20 0.43
HTT P42858 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APAF1 O14727 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4A O75164 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TSHR P16473 1/20 0.39

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
Bromide SCHEMBL4622171 0.98 HDAC8 (0.52) HDAC8ALDH1A1HTTMEN1MAPT
SCHEMBL4653273 0.87 HTT (0.50) HDAC8HTTMEN1MAPTKMT2A
SCHEMBL20840124 0.85 HDAC8 (0.56) HDAC8ALDH1A1HTTMEN1MAPT
Bromide SCHEMBL1674572 0.85 HTT (0.53) HDAC8HTTMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL4653285 0.85 HTT (0.49) HDAC8HTTMEN1MAPTKMT2A
SCHEMBL688667 0.84 HDAC8 (0.56) HDAC8ALDH1A1HTTMEN1MAPT
SCHEMBL2786767 0.84 KMT2A (0.62) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL19582712 0.84 KMT2A (0.62) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL588400 0.84 KMT2A (0.62) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3392127 0.84 KMT2A (0.62) HTTMEN1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020231919-A1 ADDITIVE MANUFACTURING OF SELF-ASSEMBLED POLYMER FILMS TRUSTEES OF TUFTS COLLEGE (US) 2020-11-19 WO claimed
EP-3535049-A1 FABRICATION OF FILTRATION MEMBRANES Trustees Of Tufts College (US) 2019-09-11 EP claimed
EP-4326426-A1 CROSS-LINKED ZWITTERIONIC POLYMER NETWORK AND THEIR USE IN MEMBRANE FILTERS TRUSTEES OF TUFTS COLLEGE (US) 2024-02-28 EP disclosed
WO-2022226329-A9 CROSS-LINKED ZWITTERIONIC POLYMER NETWORK AND THEIR USE IN MEMBRANE FILTERS TRUSTEES OF TUFTS COLLEGE (US) 2023-11-30 WO disclosed
WO-2022226329-A1 CROSS-LINKED ZWITTERIONIC POLYMER NETWORK AND THEIR USE IN MEMBRANE FILTERS TRUSTEES OF TUFTS COLLEGE (US) 2022-10-27 WO disclosed
WO-2020231919-A1 ADDITIVE MANUFACTURING OF SELF-ASSEMBLED POLYMER FILMS TRUSTEES OF TUFTS COLLEGE (US) 2020-11-19 WO disclosed
EP-3535049-A1 FABRICATION OF FILTRATION MEMBRANES Trustees Of Tufts College (US) 2019-09-11 EP disclosed
WO-2019058270-A1 IONIC POLYMERS AND USE THEREOF IN BIOMASS PROCESSING EMBION TECHNOLOGIES SA (CH) 2019-03-28 WO disclosed