SCHEMBL1246142

SCHEMBL1246142

CCCCCCCCCCCCCCCCC(C)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2D6 P10635 2/20 0.45
KCNE1 P15382 1/20 0.45
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
ALOX12 P18054 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CHRM2 P08172 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41

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
SCHEMBL1245544 1.00 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL30664039 1.00 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL1244305 1.00 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL6114690 1.00 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL1246137 1.00 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL24920226 1.00 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL1246211 1.00 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
Hydrochloric Acid SCHEMBL29252287 0.98 KCNA5 (0.46) KCNA5KCNH2CYP2D6KCNE1TSHR
Bromide SCHEMBL19032332 0.98 KCNA5 (0.46) KCNA5KCNH2CYP2D6KCNE1TSHR
Bromide SCHEMBL28986874 0.98 KCNA5 (0.46) KCNA5KCNH2CYP2D6KCNE1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8991179-B2 Drive unit and method for its operation STEAMDRIVE GMBH (DE) 2015-03-31 US disclosed
US-20110023483-A1 Drive unit and method for its operation VOITH PATENT GMBH (DE) 2011-02-03 US disclosed
US-20090062524-A1 METHOD FOR BREAKING DOWN CELLULOSE IN SOLUTION BASF SE (DE) 2009-03-05 US disclosed