SCHEMBL30330147

SCHEMBL30330147

CCCCc1cccc[n+]1CCC.[C-]#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
HTT P42858 6/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
RAD52 P43351 2/20 0.38
RGS12 O14924 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.35
GAA P10253 4/20 0.35

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
SCHEMBL28336494 0.95 KCNH2 (0.44) KCNH2NPC1RAB9ASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL30212992 0.93 KCNH2 (0.43) KCNH2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL30329856 0.90 SMN1; SMN2 (0.50) KCNH2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL30329941 0.90 SMN1; SMN2 (0.50) KCNH2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL30331669 0.88 KCNH2 (0.42) KCNH2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5304040 0.88 KCNH2 (0.55) KCNH2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5284691 0.88 KCNH2 (0.55) KCNH2NPC1RAB9ASMN1; SMN2HTT
SCHEMBL28139801 0.87 NPC1 (0.45) KCNH2NPC1RAB9ASMN1; SMN2HTT
Bromide SCHEMBL10858954 0.86 KCNH2 (0.53) KCNH2NPC1RAB9ASMN1; SMN2HTT
Fluoride Ion SCHEMBL30330561 0.86 NPC1 (0.44) KCNH2NPC1RAB9ASMN1; SMN2HTT

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