SCHEMBL5537293

SCHEMBL5537293

FN(F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
IDO1 P14902 2/20 0.38
TACR1 P25103 2/20 0.37
ADRB1 P08588 1/20 0.34
P2RX1 P51575 1/20 0.34
MAPT P10636 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MGLL Q99685 2/20 0.32
S1PR1 P21453 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL12964480 0.83 CES2 (0.42) CES2IDO1TACR1ADRB1P2RX1
SCHEMBL7872031 0.80 GPR35 (0.35) IDO1TACR1P2RX1MAPTRAPGEF4
SCHEMBL12937113 0.79 CES2 (0.39) CES2IDO1TACR1P2RX1ALDH1A1
SCHEMBL440959 0.78 CES2 (0.58) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL5535744 0.76 CES2 (0.41) CES2IDO1TACR1ADRB1P2RX1
SCHEMBL7694014 0.76 TACR1 (0.43) CES2IDO1TACR1P2RX1MAPT
SCHEMBL657091 0.76 TACR1 (0.43) CES2IDO1TACR1P2RX1MAPT
SCHEMBL7170677 0.76 IDO1 (0.41) CES2IDO1TACR1ADRB1P2RX1
SCHEMBL23059913 0.74 ALDH1A1 (0.48) IDO1TACR1P2RX1MAPTALDH1A1
SCHEMBL25643314 0.74 ALDH1A1 (0.48) IDO1TACR1P2RX1MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO claimed
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO disclosed
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO disclosed