SCHEMBL4732228

SCHEMBL4732228

O=S1(=O)c2ccc(Cl)cc2Cc2ccc(F)cc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
CHEK1 O14757 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
RET P07949 1/20 0.35
PIM1 P11309 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK8 P49336 1/20 0.35
PRKX P51817 1/20 0.35
LIMK1 P53667 1/20 0.35
CDK5 Q00535 1/20 0.35
ACVR1 Q04771 1/20 0.35
PTK2 Q05397 1/20 0.35
TYRO3 Q06418 1/20 0.35
PRKAA1 Q13131 1/20 0.35
DYRK1A Q13627 1/20 0.35
NTRK3 Q16288 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL4733982 0.88 HTR2A (0.35) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL4730132 0.79 CYP17A1 (0.39) MAOACA1CA2HTR2AHTR6
SCHEMBL4733537 0.76 GPR3 (0.40) MAOAPSEN1PSEN2APH1BNCSTN
SCHEMBL11823803 0.74 AKR1C3 (0.40) MAOAPSEN1PSEN2APH1BNCSTN
SCHEMBL24727227 0.72 METAP1 (0.47) METAP1CA1CA2HTR2ACA4
SCHEMBL11825540 0.71 PTGS2 (0.44) MAOA
SCHEMBL4730720 0.70 HCAR2 (0.33) CHEK1DAPK3MAP4K4RETPIM1
SCHEMBL24727259 0.69 METAP1 (0.44) METAP1CA1CA2HTR2ACA4
SCHEMBL4734556 0.69 KCNK2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13932523 0.68 MAOA (0.44) MAOAMETAP1CA1CA2CA12

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