SCHEMBL29198529

SCHEMBL29198529

CCCCCCCC(C)[n+]1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 3/20 0.37
CSNK1E P49674 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
CHRM1 P11229 2/20 0.35
ACHE P22303 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ABCB11 O95342 1/20 0.35
ESR1 P03372 1/20 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
SCHEMBL4068383 0.82 SMN1; SMN2 (0.39) SMN1; SMN2NPC1POLBRAB9AKMT2A
Bromide SCHEMBL11544836 0.81 KCNH2 (0.38) SMN1; SMN2NPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL11542156 0.81 SMN1; SMN2 (0.38) SMN1; SMN2NPC1POLBRAB9AKMT2A
SCHEMBL1168955 0.71 CHRM2 (0.47) SMN1; SMN2KMT2AMEN1HTTCHRM2
SCHEMBL2563316 0.71 CHRM2 (0.47) SMN1; SMN2KMT2AMEN1HTTCHRM2
SCHEMBL27656267 0.71 CHRM2 (0.47) SMN1; SMN2KMT2AMEN1HTTCHRM2
SCHEMBL29198466 0.70 HTT (0.53) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL29198532 0.70 HTT (0.53) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL28251928 0.70 HTT (0.53) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL11336050 0.69 NPC1 (0.39) SMN1; SMN2NPC1POLBRAB9AACHE

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-111849369-B Surface protective film and optical member 日东电工株式会社 2024-04-26 CN disclosed
CN-113382860-B Adhesive sheet and use thereof 日东电工株式会社 2024-03-22 CN disclosed