SCHEMBL1396476

SCHEMBL1396476

CCCCCCCCC[n+]1ccccc1CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
KMT2A Q03164 7/20 0.56
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
HTT P42858 6/20 0.56
MEN1 O00255 6/20 0.56
KDM4E B2RXH2 5/20 0.56
NPSR1 Q6W5P4 3/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 3/20 0.56
RAD52 P43351 3/20 0.56
HSP90AA1 P07900 2/20 0.56
RGS12 O14924 1/20 0.56
USP2 O75604 1/20 0.56
THRB P10828 1/20 0.56
MCL1 Q07820 1/20 0.56
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.49
GAA P10253 4/20 0.49
CYP1A2 P05177 2/20 0.49

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
SCHEMBL29561030 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT
SCHEMBL4066020 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT
SCHEMBL627759 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT
SCHEMBL628768 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT
SCHEMBL627246 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT
SCHEMBL4986033 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT
SCHEMBL5134796 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT
SCHEMBL627221 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT
SCHEMBL1396535 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT
SCHEMBL29561436 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KMT2ANPC1RAB9AHTT

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-2289122-A1 PROTON-CONDUCTING MEMBRANE AND ITS USE BASF SE (DE) 2011-03-02 EP disclosed
WO-2009138172-A1 PROTON-CONDUCTING MEMBRANE AND ITS USE BASF SE (DE) 2009-11-19 WO disclosed