SCHEMBL4782882

SCHEMBL4782882

CC1(C)CC(NS(=O)(=O)c2cn(S(=O)(=O)c3ccccc3)c3cccc(C(F)(F)F)c23)CC(C)(C)N1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
SFRP1 Q8N474 3/20 0.40
MEN1 O00255 1/20 0.40
HTR6 P50406 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
WNT3 P56703 1/20 0.38
POLB P06746 2/20 0.36
RAB9A P51151 1/20 0.36
IKBKB O14920 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4784754 0.84 MAPT (0.48) KMT2AMEN1HTR6TSHRSMN1; SMN2
SCHEMBL4782529 0.84 SFRP1 (0.56) SFRP1HTR6WNT3
SCHEMBL4780921 0.84 SFRP1 (0.48) SFRP1HTR6WNT3
Hydrochloric Acid SCHEMBL4781661 0.83 SFRP1 (0.55) SFRP1HTR6WNT3
SCHEMBL4784394 0.82 HTR6 (0.50) SFRP1HTR6WNT3
SCHEMBL4784256 0.82 SFRP1 (0.46) SFRP1HTR6WNT3
SCHEMBL4781473 0.82 SFRP1 (0.46) SFRP1HTR6WNT3
SCHEMBL4783391 0.82 SFRP1 (0.46) SFRP1HTR6WNT3
SCHEMBL4783287 0.82 HTR6 (0.47) SFRP1HTR6WNT3
SCHEMBL4783281 0.82 HTR6 (0.47) SFRP1HTR6WNT3

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-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed