SCHEMBL2332870

SCHEMBL2332870

C[n+]1ccc(CCCCCCCCCCc2cc[n+](C)c3ccccc23)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
RCE1 Q9Y256 1/20 0.45
CHAT P28329 1/20 0.44
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAD52 P43351 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2335846 1.00 RAB9A (0.45) RAB9ARCE1CHATMAPTMAPK1
SCHEMBL18334832 0.87 LOXL2 (0.44) RAB9ARCE1SMN1; SMN2NPSR1KDM4E
SCHEMBL18823593 0.81 RAB9A (0.51) RAB9ARCE1CHATMAPTMAPK1
SCHEMBL5804296 0.79 RAB9A (0.46) RAB9ARCE1CHATMAPTMAPK1
SCHEMBL18334833 0.77 LOXL2 (0.33)
Iodide SCHEMBL25373170 0.76 LOXL2 (0.32)
Iodide SCHEMBL25374247 0.76 LOXL2 (0.32)
SCHEMBL2335412 0.71 RAB9A (0.42) RAB9ARCE1CHATMAPTMAPK1
SCHEMBL30611103 0.71 RAB9A (0.69) RAB9ARCE1CHATMAPTMAPK1
SCHEMBL16053326 0.70 RAB9A (0.41) RAB9ARCE1CHATMAPTMAPK1

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
EP-2533815-A1 NUCLEIC ACID COMPLEXES Procarta Biosystems Ltd (GB) 2012-12-19 EP disclosed
WO-2011098829-A1 NUCLEIC ACID COMPLEXES PROCARTA BIOSYSTEMS LTD (GB) 2011-08-18 WO disclosed