SCHEMBL19953885

SCHEMBL19953885

CCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.37
PDK2 Q15119 3/20 0.36
ELANE P08246 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CRHR1 P34998 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
SCHEMBL14207068 0.96 SIGMAR1 (0.39) SIGMAR1PDK2ELANEL3MBTL1SLC6A2
SCHEMBL12640107 0.95 SIGMAR1 (0.38) SIGMAR1PDK2ELANEL3MBTL1SLC6A2
SCHEMBL13725847 0.91 SIGMAR1 (0.32) SIGMAR1PDK2ELANECRHR1
SCHEMBL12640119 0.91 SIGMAR1 (0.36) SIGMAR1PDK2ELANEL3MBTL1
SCHEMBL13724910 0.90 RXRA (0.33) SIGMAR1PDK2ELANE
SCHEMBL12640108 0.90 SIGMAR1 (0.35) SIGMAR1ELANEL3MBTL1MEN1MAPT
SCHEMBL17678546 0.89 SIGMAR1 (0.36) SIGMAR1ELANEL3MBTL1MEN1MAPT
SCHEMBL17678533 0.89 SIGMAR1 (0.49) SIGMAR1ELANEL3MBTL1MEN1MAPT
SCHEMBL27973192 0.89 SIGMAR1 (0.34) SIGMAR1PDK2L3MBTL1CRHR1
SCHEMBL13725825 0.88 RXRA (0.35) PDK2CRHR1

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-9917270-B1 Organic electroluminescent device having an exciton quenching layer CYNORA GMBH (DE) 2018-03-13 US disclosed