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SCHEMBL15856397

SCHEMBL15856397

CN(c1ccccc1F)c1c(-c2ccccc2)ccc(-c2ccc(-c3ccccc3)cc2)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ TACR1 P25103 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15856506 1.00 SLC6A9 (0.33) SLC6A9TAAR1TACR1RXRARXRB
SCHEMBL15856443 0.97 TACR1 (0.33) TACR1RXRARXRBALOX5APFEN1
SCHEMBL15856425 0.91 SLC6A9 (0.33) SLC6A9TACR1
SCHEMBL15856325 0.91 SLC6A9 (0.33) SLC6A9TACR1
SCHEMBL15856345 0.89 AKR1C3 (0.38) SLC6A9
SCHEMBL15856349 0.89 AKR1C3 (0.38) SLC6A9
SCHEMBL15856464 0.87 PPARG (0.36) SLC6A9RXRARXRB
SCHEMBL15856487 0.87 PPARG (0.36) SLC6A9RXRARXRB
SCHEMBL15856500 0.86 TACR1 (0.35) SLC6A9TAAR1TACR1
SCHEMBL15856408 0.85 AKR1C3 (0.39) —

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