SCHEMBL4314749

SCHEMBL4314749

CCCCCCCCCCCCCCCCCCN1CCCN(CCCCCCCCCCCCCCCCCC)N1CCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.41
GNAI3 P08754 4/20 0.41
GNAI1 P63096 4/20 0.41
ALOX5 P09917 2/20 0.38
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
BCHE P06276 2/20 0.36
GUSB P08236 2/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL7623879 1.00 GNAO1 (0.41) GNAO1GNAI3GNAI1ALOX5TSHR
SCHEMBL6397047 0.98 GNAO1 (0.39) GNAO1GNAI3GNAI1ALOX5TSHR
Hydrochloric Acid SCHEMBL14956779 0.96 GNAO1 (0.38) GNAO1GNAI3GNAI1ALOX5TSHR
SCHEMBL11293775 0.91 MEN1 (0.32) GNAO1GNAI3GNAI1
SCHEMBL9186089 0.82 GNAO1 (0.41) GNAO1GNAI3GNAI1ALOX5TSHR
SCHEMBL28480879 0.78 L3MBTL1 (0.43) GNAO1GNAI3GNAI1ALOX5
SCHEMBL7026849 0.78 MEN1 (0.35) GNAO1GNAI3GNAI1TSHR
SCHEMBL13764651 0.74 GNAO1 (0.38) GNAO1GNAI3GNAI1ALOX5BCHE
SCHEMBL7478832 0.73 HRH3 (0.62) GNAO1GNAI3GNAI1BCHEGUSB
SCHEMBL768306 0.73 HRH3 (0.62) GNAO1GNAI3GNAI1BCHEGUSB

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
WO-2009135813-A1 DEGRADABLE MATERIAL BASF SE (DE) 2009-11-12 WO disclosed