SCHEMBL15856439

SCHEMBL15856439

CN(c1ccccc1F)c1cccc(-c2cccc(-c3ccccc3)c2)c1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.35
ACLY P53396 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
TACR1 P25103 1/20 0.34
ACMSD Q8TDX5 1/20 0.31
PTPRC P08575 1/20 0.31
PTPN1 P18031 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN8A Q9UQD0 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
SCHEMBL15856510 0.91 TACR1 (0.35) SLC6A9ACLYTACR1SMN1; SMN2
SCHEMBL15856550 0.91 TACR1 (0.37) ACLYTACR1KDM4EALDH1A1SMN1; SMN2
SCHEMBL15856329 0.88 ACLY (0.36) SLC6A9ACLYPTGER1PTGER4PTGER3
SCHEMBL15856424 0.86 ACLY (0.34) SLC6A9ACLY
SCHEMBL15856326 0.85 ACLY (0.36) SLC6A9ACLYTACR1
SCHEMBL15856509 0.85 SLC6A9 (0.35) SLC6A9ACLYPTGER1PTGER4PTGER3
SCHEMBL15856325 0.84 SLC6A9 (0.33) SLC6A9ACLYPTGER1PTGER4PTGER3
SCHEMBL15856425 0.84 SLC6A9 (0.33) SLC6A9ACLYPTGER1PTGER4PTGER3
SCHEMBL15856335 0.84 ACLY (0.34) SLC6A9ACLYPTGER1PTGER4PTGER3
SCHEMBL15856334 0.84 ACLY (0.34) SLC6A9ACLYPTGER1PTGER4PTGER3

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-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 US disclosed