SCHEMBL12161663

SCHEMBL12161663

CCCN(c1cc(Cl)cnc1C(O)c1ccncc1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.42
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
TRPM8 Q7Z2W7 3/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CCR2 P41597 2/20 0.34
SLC6A9 P48067 1/20 0.34
NAMPT P43490 2/20 0.34

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
SCHEMBL306271 0.89 POLB (0.37) TRPM8MAPTTSHRALDH1A1LMNA
SCHEMBL12161510 0.81 ESR1 (0.48) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL307533 0.80 POLB (0.35) TRPM8MAPTTSHRALDH1A1LMNA
SCHEMBL10305632 0.77 POLB (0.37) TRPM8MAPTALDH1A1CCR2
SCHEMBL12347431 0.76 POLB (0.35) TRPM8MAPTALDH1A1CCR2SLC6A9
SCHEMBL306049 0.76 TSHR (0.51) TSHRCCR2
SCHEMBL304523 0.76 POLB (0.37) TRPM8MAPTTSHRALDH1A1LMNA
SCHEMBL306944 0.75 POLB (0.34) TRPM8MAPTCCR2
SCHEMBL305479 0.74 TRPM8 (0.38) TRPM8MAPTTSHRALDH1A1LMNA
SCHEMBL10192356 0.73 TSHR (0.41) TSHRALDH1A1LMNACCR2

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-1838674-B9 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX INC (US) 2011-11-02 EP disclosed
EP-1838674-B1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX INC (US) 2011-03-30 EP disclosed