SCHEMBL3933110

SCHEMBL3933110

O=S(=O)(c1ccccc1)c1ccc2c(c1)CCC=C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.51
HTR2B P41595 3/20 0.51
PNMT P11086 1/20 0.49
HTR6 P50406 11/20 0.44
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL28316115 0.86 HTR2C (0.52) HTR2CHTR2BPNMTHTR6
SCHEMBL13447890 0.79 CA1 (0.44) ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL1706010 0.71 HTR2C (0.73) HTR2CHTR2BPNMTHTR6ALDH1A1
SCHEMBL3420195 0.71 PARP10 (0.39) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL19296352 0.70 HTR2C (0.49) HTR2CHTR2BPNMTHTR6ALDH1A1
SCHEMBL2525091 0.69 FFAR4 (0.31)
SCHEMBL5051390 0.69 HTR6 (0.93) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL17858418 0.68 ALDH1A1 (0.52) ALDH1A1POLBMAPTTSHR
SCHEMBL24036626 0.68 ALDH1A1 (0.44) HTR2BALDH1A1MAPTLMNATHRB
SCHEMBL315527 0.68 HTR2C (0.54) HTR2CHTR2BPNMTHTR6ALDH1A1

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
EP-2041079-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-04-01 EP disclosed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed