SCHEMBL30329941

SCHEMBL30329941

CCCCCCCCCC[n+]1ccccc1CCCC.[C-]#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
HTT P42858 6/20 0.50
KMT2A Q03164 6/20 0.50
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
RAD52 P43351 3/20 0.50
HSP90AA1 P07900 2/20 0.50
RGS12 O14924 1/20 0.50
USP2 O75604 1/20 0.50
THRB P10828 1/20 0.50
MCL1 Q07820 1/20 0.50
KCNH2 Q12809 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.44
GAA P10253 4/20 0.44

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
SCHEMBL30329856 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL4896340 0.95 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL30330911 0.94 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL30212842 0.94 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL30330723 0.94 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTKMT2A
Fluoride Ion SCHEMBL30212646 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTKMT2A
Fluoride Ion SCHEMBL30212663 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTKMT2A
Fluoride Ion SCHEMBL30212735 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTKMT2A
Hydrochloric Acid SCHEMBL30212715 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTKMT2A
Hydrochloric Acid SCHEMBL30212724 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTKMT2A

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
WO-2023046704-A1 ELECTROCHEMICAL GAS SENSOR AND ELECTROLYTE FOR AN ELECTROCHEMICAL GAS SENSOR Dräger Safety AG & Co. KGaA (DE) 2023-03-30 WO disclosed