SCHEMBL18507044

SCHEMBL18507044

C[n+]1ccn(CCCCC#N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 2/20 0.59
HSP90AA1 P07900 2/20 0.59
KMT2A Q03164 2/20 0.59
APAF1 O14727 1/20 0.59
NPC1 O15118 1/20 0.59
PLA2G1B P04054 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
FDPS P14324 11/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.32
HDAC8 Q9BY41 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
Bromide SCHEMBL9547363 0.97 SMN1; SMN2 (0.65) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
SCHEMBL372789 0.95 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL2229190 0.93 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
Bromide SCHEMBL26596998 0.93 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
Cyanamide SCHEMBL1340736 0.90 SMN1; SMN2 (0.51) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
SCHEMBL4252320 0.88 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
SCHEMBL372622 0.87 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
SCHEMBL1340737 0.87 MEN1 (0.49) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
SCHEMBL29624315 0.87 MEN1 (0.49) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A
Water SCHEMBL28178852 0.85 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMEN1HSP90AA1KMT2A

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
CN-107257784-B For extracting C from aqueous streams1To C4Quaternary carboxylate compositions of carboxylic acids 伊士曼化工公司 2021-07-06 CN disclosed
CN-107250094-B For extracting C from aqueous streams1To C4Quaternary phosphinate salts of carboxylic acids and co-solvents 伊士曼化工公司 2021-07-06 CN disclosed
CN-107406469-B For extracting C from aqueous streams1To C4Quaternary arylcarboxylate salt compositions of carboxylic acids 伊士曼化工公司 2021-04-30 CN disclosed
US-9573078-B2 Quaternary carboxylate compositions for extracting C1 to C4 carboxylic acids from aqueous streams EASTMAN CHEMICAL COMPANY (US) 2017-02-21 US disclosed