SCHEMBL27784141

SCHEMBL27784141

FCC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.52
TAAR1 Q96RJ0 1/20 0.52
HRH1 P35367 5/20 0.48
TDP1 Q9NUW8 1/20 0.44
DPP4 P27487 2/20 0.43
F2 P00734 1/20 0.43
TSHR P16473 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
GRM7 Q14831 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL1415533 0.79 TAAR1 (0.43) HTR2ATAAR1HRH1DPP4F2
SCHEMBL1538461 0.77 TAAR1 (0.42) HTR2ATAAR1HRH1DPP4F2
SCHEMBL13715342 0.77 HRH1 (0.64) HTR2ATAAR1HRH1CHRNB2CHRNA4
SCHEMBL29148239 0.77 IDO1 (0.42)
SCHEMBL10884757 0.75 CES2 (0.41) HTR2ATAAR1HRH1DPP4F2
SCHEMBL1416410 0.75 TAAR1 (0.58) HTR2ATAAR1HRH1LMNA
SCHEMBL25202788 0.75 LMNA (0.58) TSHRRAB9ALMNA
SCHEMBL16681069 0.75 SCN4A (0.50) HTR2ATAAR1DPP4F2
SCHEMBL8375805 0.75 LMNA (0.58) TSHRRAB9ALMNA
SCHEMBL1031364 0.75 TAAR1 (0.58) HTR2ATAAR1HRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522611-B Substituted phenylsulfur trifluoride and other similar fluorinating agents UBE INDUSTRIES 2013-07-17 CN disclosed
CN-101522611-A Substituted phenylsulfur trifluoride and other similar fluorinating agents IM & T RES INC (US) 2009-09-02 CN disclosed