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SCHEMBL4734862

SCHEMBL4734862

CCC1(CC)c2ccccc2S(=O)(=O)c2cc(S(=O)(=O)NC3CCN(CCO)CC3)c(C)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SFRP1 Q8N474 3/20 0.39
▸ HTR1A P08908 11/20 0.38
▸ HTR7 P34969 11/20 0.38
▸ DRD2 P14416 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 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
SCHEMBL4730139 0.89 SFRP1 (0.45) MEN1KMT2ASFRP1HTR1AHTR7
SCHEMBL4733195 0.87 CCR8 (0.41) MEN1KMT2A
SCHEMBL4731366 0.86 HTT (0.36) MEN1KMT2A
SCHEMBL4731370 0.86 HTT (0.36) MEN1KMT2A
SCHEMBL4732359 0.84 BRD4 (0.36) MEN1KMT2A
SCHEMBL4733939 0.84 BRD4 (0.41) MEN1KMT2ASFRP1
SCHEMBL4732877 0.80 SFRP1 (0.45) MEN1KMT2ASFRP1HTR1AHTR7
SCHEMBL4730491 0.80 SFRP1 (0.50) MEN1KMT2ASFRP1
SCHEMBL4733900 0.79 ALDH1A1 (0.41) MEN1KMT2ASFRP1
SCHEMBL4730981 0.78 SFRP1 (0.46) MEN1KMT2ASFRP1HTR1AHTR7

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