SCHEMBL7897644

SCHEMBL7897644

O=c1c2ccccc2n(S(=O)(=O)C(F)(F)F)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
PTGS2 P35354 1/20 0.42
DHFR P00374 1/20 0.41
P2RX4 Q99571 4/20 0.41
ATM Q13315 1/20 0.40
GLA P06280 3/20 0.40
HTR6 P50406 2/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 1/20 0.36
PGAM1 P18669 1/20 0.36
MAOA P21397 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NTRK1 P04629 1/20 0.36
FABP3 P05413 1/20 0.36

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
SCHEMBL7897558 0.74 PTGS2 (0.42) ALDH1A1PTGS2DHFRP2RX4ATM
SCHEMBL9609281 0.73 FABP3 (0.41) HTR6HTTKDM4EFABP3FABP4
SCHEMBL7898819 0.70 HTR6 (0.42) ALDH1A1HTR6HTTHPGDFABP4
SCHEMBL17825377 0.65 MEN1 (0.37) ALDH1A1PTGS2HTR6HPGDSMN1; SMN2
SCHEMBL13060362 0.65 ALDH1A1 (0.54) ALDH1A1DHFRP2RX4ATMGLA
SCHEMBL20017278 0.65 ALDH1A1 (0.54) ALDH1A1DHFRP2RX4ATMGLA
SCHEMBL31598458 0.65 P2RX4 (0.55) ALDH1A1DHFRP2RX4ATMGLA
SCHEMBL53107 0.65 GPR3 (0.71) ALDH1A1ATMGLAMAPTHTT
SCHEMBL21311768 0.65 ALDH1A1 (0.54) ALDH1A1DHFRP2RX4ATMGLA
SCHEMBL7896123 0.65 ALDH1A1 (0.54) ALDH1A1DHFRP2RX4ATMGLA

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-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed