SCHEMBL90902

SCHEMBL90902

COCCOc1cc(CN)ccc1N1CCOc2cc(C)ccc2N2CCOCCOCCN(CCOCCOCC2)c2ccc(C)cc2OCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
P2RY12 Q9H244 1/20 0.39
KDM1A O60341 1/20 0.39
POLB P06746 1/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
HTR1A P08908 2/20 0.35
SLC6A4 P31645 2/20 0.35
PRKDC P78527 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PIK3CA P42336 1/20 0.35
CCR5 P51681 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16477808 0.92 KCNH2 (0.43) KCNH2P2RY12KDM1APOLBKDM4E
SCHEMBL16477795 0.91 KCNH2 (0.41) KCNH2P2RY12KDM1APOLBKDM4E
SCHEMBL70658 0.87 DRD2 (0.44) KCNH2P2RY12KDM1APOLBALDH1A1
SCHEMBL10088452 0.83 ALDH1A3 (0.45) KCNH2P2RY12KDM1AKDM4EALDH1A1
SCHEMBL20630878 0.82 P2RY12 (0.49) KCNH2P2RY12KDM1APOLBKDM4E
SCHEMBL23118210 0.76 KCNH2 (0.45) KCNH2P2RY12KDM1AKDM4EALDH1A1
SCHEMBL12571681 0.76 SCN9A (0.40) KCNH2P2RY12KDM1AL3MBTL1PRKDC
SCHEMBL13433979 0.75 KDM4E (0.47) KCNH2P2RY12KDM1APOLBKDM4E
SCHEMBL12628492 0.75 KCNH2 (0.36) KCNH2P2RY12KDM1AKDM4EALDH1A1
SCHEMBL12527305 0.74 GAA (0.52) KCNH2P2RY12KDM1AKDM4EALDH1A1

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
US-8129365-B2 Water-soluble, fluorescent compounds for detection of potassium ions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-06 US disclosed