SCHEMBL12087469

SCHEMBL12087469

CN(CCN(Cc1ncnn1C)Cc1ncnn1C)Cc1ncnn1C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12722531 0.91 HTR1A (0.38) HTR1AKDM4EALDH1A1
SCHEMBL15308486 0.84 HTR1A (0.35) HTR1A
SCHEMBL19129203 0.77 HTR1A (0.39) HTR1AKDM4EALDH1A1
SCHEMBL12087627 0.76 HTR1A (0.34) HTR1A
SCHEMBL12087470 0.72 CXCR4 (0.46) KDM4EALDH1A1
SCHEMBL15307312 0.66 HTR1A (0.30) HTR1A
SCHEMBL11892769 0.63 — —
SCHEMBL12794026 0.63 — —
SCHEMBL11890333 0.62 GABRA1 (0.33) HTR1AKDM4EALDH1A1
SCHEMBL13785309 0.61 CXCR4 (0.61) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951695-B2 Redox fuel cell with catholyte redox mediator ACAL ENERGY LIMITED (GB) 2015-02-10 — — US disclosed
US-8951695-B2 Redox fuel cell with catholyte redox mediator ACAL ENERGY LIMITED (GB) 2015-02-10 — — US disclosed
EP-2238641-B1 REDOX FUEL CELLS ACAL ENERGY LTD (GB) 2012-09-05 — — EP disclosed
US-20110091746-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-04-21 — — US disclosed
US-20110091746-A1 FUEL CELLS ACAL ENERGY LIMITED (GB) 2011-04-21 — — US disclosed
Send feedback