SCHEMBL6433516

SCHEMBL6433516

Nc1ccccc1S(=O)(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CA9 Q16790 2/20 0.42
SOAT1 P35610 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
HTR6 P50406 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2C9 P11712 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40

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
SCHEMBL7870945 0.76 POLB (0.53) ALDH1A1SMN1; SMN2ATML3MBTL1POLB
SCHEMBL31120586 0.74 POLB (0.73) ALDH1A1CA9ATMPOLBCA12
SCHEMBL16300320 0.73 CA2 (0.63) ALDH1A1SMN1; SMN2CA9GAAATM
SCHEMBL30801085 0.73 CA2 (0.63) ALDH1A1SMN1; SMN2CA9GAAATM
SCHEMBL8566023 0.72 ALDH1A1 (0.53) ALDH1A1ATML3MBTL1CA2CA7
SCHEMBL13763413 0.71 NSD2 (0.74) NSD2ALDH1A1CA9L3MBTL1POLB
SCHEMBL31732804 0.71 GAA (0.52) NSD2ALDH1A1SMN1; SMN2CA9GAA
SCHEMBL375390 0.71 GAA (0.52) NSD2ALDH1A1SMN1; SMN2CA9GAA
SCHEMBL3217835 0.70 HTT (0.51) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL7872816 0.69 ALDH1A1 (0.48) ALDH1A1HTTSMN1; SMN2CA9GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982286-B1 Diene compounds and process for preparing the same TAKASAGO PERFUMERY CO LTD (JP) 2005-02-23 EP disclosed
US-6323174-B1 PERFUME COMPOSITION AT LEAST COMPRISING 4-METHYL-5-HEXEN-1-AL TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-27 US disclosed
US-6239324-B1 REACTING A 1,3-BUTADIENE WITH OLEFIN IN PRESENCE OF HYDROPHILIC SOLVENT AND RUTHENIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-05-29 US disclosed
EP-0982286-A2 Diene compounds and process for preparing the same Takasago International Corporation (JP) 2000-03-01 EP disclosed