SCHEMBL21941871

SCHEMBL21941871

c1ccc2c(c1)ccc1c2c2cc3sc4ccccc4c3cc2n1-c1nc2ccccc2nc1-c1cccc2sc3ccccc3c12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
GSR P00390 1/20 0.31

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
SCHEMBL21941970 0.96 CYP1A2 (0.32) CYP1A2GSR
SCHEMBL19831828 0.87 HRH4 (0.36)
SCHEMBL24221128 0.87 GSR (0.32) CYP1A2GSR
SCHEMBL23471992 0.86 GSR (0.32) CYP1A2GSR
SCHEMBL22988946 0.85 CYP1A2 (0.36) CYP1A2GSR
SCHEMBL21716843 0.85 GSR (0.36) GSR
SCHEMBL23471991 0.85 GSR (0.32) GSR
SCHEMBL21716840 0.83 GSR (0.32) GSR
SCHEMBL22277064 0.83 CASP1 (0.34)
SCHEMBL24030123 0.83 GSR (0.30) GSR

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-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 WO disclosed