SCHEMBL28399994

SCHEMBL28399994

CCCCCCCCCCCCn1cc(CCCC)[n+](CCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
HTT P42858 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HSP90AA1 P07900 4/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APAF1 O14727 1/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
LMNA P02545 3/20 0.37
GALR3 O60755 2/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 2/20 0.37
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
Hydrochloric Acid SCHEMBL30980152 0.92 MEN1 (0.30) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL17731904 0.81 CA12 (0.35) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
Iodide SCHEMBL19548360 0.80 CA12 (0.34) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
Bromide SCHEMBL19548301 0.80 MEN1 (0.36) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL17706460 0.80 NPC1 (0.49) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
Hydrochloric Acid SCHEMBL30980146 0.80 MEN1 (0.31) NPC1RAB9AHTTSMN1; SMN2HSP90AA1
SCHEMBL17731638 0.80 CA12 (0.33) SMN1; SMN2HSP90AA1MEN1KMT2APOLB
SCHEMBL17255108 0.79 CA1 (0.39) CA1CA2
SCHEMBL29724071 0.79 CA1 (0.36) CA1CA2
Iodide SCHEMBL19548385 0.79 CA12 (0.32) SMN1; SMN2HSP90AA1MEN1KMT2APOLB

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
CN-107416784-B Two-dimensional black phosphorus nanosheet and liquid-phase stripping preparation method thereof 深圳大学 2020-05-26 CN disclosed