SCHEMBL30532201

SCHEMBL30532201

CCn1cc[n+](C)c1.N#CCC#N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
APAF1 O14727 1/20 0.46
NPC1 O15118 1/20 0.46
PLA2G1B P04054 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
FDPS P14324 4/20 0.36
LMNA P02545 1/20 0.34
PON1 P27169 2/20 0.32
HDAC8 Q9BY41 2/20 0.31

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
SCHEMBL30785023 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL30427141 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Thiocyanic Acid SCHEMBL294220 0.90 SMN1; SMN2 (0.47) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Cyanate SCHEMBL29623877 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL15734074 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Cyanate SCHEMBL14894995 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Cyanamide SCHEMBL2783590 0.88 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Water SCHEMBL4948875 0.87 SMN1; SMN2 (0.57) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Water SCHEMBL17764760 0.87 SMN1; SMN2 (0.52) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL34729 0.87

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
CN-116535795-B High-elasticity self-repairing mechanical color-changing ionic gel film and preparation method thereof 大连理工大学 2026-05-19 CN disclosed
CN-116535795-A High-elasticity self-repairing mechanical color-changing ionic gel film and preparation method thereof 大连理工大学 2023-08-04 CN disclosed