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SCHEMBL4782099

SCHEMBL4782099

CCc1cccc2c1c(S(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SFRP1 Q8N474 6/20 0.51
▸ BRD4 O60885 2/20 0.51
▸ HTR6 P50406 3/20 0.50
▸ CCR8 P51685 1/20 0.49
▸ TGFBR1 P36897 5/20 0.48
▸ BCHE P06276 1/20 0.44
▸ WNT3 P56703 2/20 0.43
▸ STS P08842 1/20 0.43

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
SCHEMBL4782499 0.89 HTR6 (0.42) SFRP1BRD4HTR6CCR8WNT3
SCHEMBL4783125 0.89 CCR8 (0.52) SFRP1BRD4HTR6CCR8TGFBR1
SCHEMBL14207869 0.89 CCR8 (0.50) SFRP1BRD4HTR6CCR8TGFBR1
SCHEMBL14208234 0.87 HTR6 (0.49) SFRP1BRD4HTR6CCR8TGFBR1
SCHEMBL4784964 0.87 SFRP1 (0.58) SFRP1BRD4HTR6CCR8TGFBR1
SCHEMBL4783585 0.83 SFRP1 (0.55) SFRP1BRD4HTR6CCR8TGFBR1
SCHEMBL4785454 0.82 CCR8 (0.51) CCR8
SCHEMBL4782082 0.81 SFRP1 (0.53) SFRP1BRD4CCR8TGFBR1WNT3
SCHEMBL4782711 0.81 HTR6 (0.52) SFRP1HTR6WNT3
SCHEMBL4782603 0.81 BRD4 (0.43) BRD4HTR6CCR8

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