SCHEMBL4669253

SCHEMBL4669253

Nc1ccc(F)c(C(F)(F)F)c1.O=S(=O)(c1ccccc1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HTR6 P50406 5/20 0.43
NAMPT P43490 1/20 0.43
TSHR P16473 2/20 0.42
MPO P05164 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
SFRP1 Q8N474 3/20 0.41
WNT3 P56703 1/20 0.41
POLB P06746 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL4201103 0.91 HTR6 (0.48) HTR6NAMPTALDH1A1SFRP1WNT3
SCHEMBL15867028 0.83 VCAM1 (0.48) LMNANAMPTMAPTSLC22A12AR
SCHEMBL10430026 0.79 HTR6 (0.47) LMNAHTR6TSHRALDH1A1PKM
Sulfuric Acid SCHEMBL8328478 0.78 TSHR (0.52) TSHRCYP3A4ALDH1A1POLBGLA
SCHEMBL29422813 0.78 GAA (0.64) TSHRALDH1A1POLBGLAGAA
SCHEMBL146397 0.78 GAA (0.64) TSHRALDH1A1POLBGLAGAA
SCHEMBL19604031 0.77 KIF11 (0.50) LMNANAMPTMAPTSLC22A12PGAM1
SCHEMBL4618091 0.77 FFAR4 (0.49) LMNAHTR6ALDH1A1PKMSFRP1
Hydrochloric Acid SCHEMBL31582982 0.76 GAA (0.61) TSHRALDH1A1POLBGLAGAA
Hydrochloric Acid SCHEMBL4372872 0.76 GAA (0.61) TSHRALDH1A1POLBGLAGAA

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
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed