SCHEMBL4733982

SCHEMBL4733982

O=S1(=O)c2ccc(Cl)cc2CCc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
TP53 P04637 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
PNMT P11086 1/20 0.33
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
RET P07949 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
SCHEMBL4732228 0.88 MAOA (0.37) HTR2AHTR2CHTR2BPSEN1PSEN2
SCHEMBL4732184 0.79 MEN1 (0.39) HTR6HTTCA1CA2
SCHEMBL11003086 0.76 CYP19A1 (0.32) CA1CA2
SCHEMBL4732823 0.76 TRPV4 (0.34)
SCHEMBL9682110 0.75 CHEK1 (0.40) HTR2CCHEK1HTTSLC6A4
SCHEMBL11098810 0.75 ALDH1A1 (0.41) TP53SRD5A1SRD5A2CHEK1HTT
SCHEMBL4732626 0.75 ATM (0.40) HTR2AHTR2CHTR2BHTT
SCHEMBL4732453 0.71 TYMS (0.35) SRD5A1
SCHEMBL4730720 0.70 HCAR2 (0.33) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL4734556 0.69 KCNK2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed