SCHEMBL7771886

SCHEMBL7771886

O=S(=O)(O)CCCCCCN1CCNCC1Cc1ccc(-c2ccccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ MITF O75030 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ UGCG Q16739 1/20 0.39
▸ GBA2 Q9HCG7 1/20 0.39
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ DPP4 P27487 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ HTR3A P46098 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ IDE P14735 1/20 0.35
▸ UBE2N P61088 1/20 0.35
▸ DPP7 Q9UHL4 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
SCHEMBL7771962 0.73 CA1 (0.39) TDP1MITFL3MBTL1GBA1UGCG
SCHEMBL7775649 0.73 CA1 (0.38) TDP1MITFL3MBTL1GBA1UGCG
SCHEMBL27629296 0.69 TDP1 (0.51) TDP1MITFL3MBTL1DPP4CA1
SCHEMBL8654796 0.68 MITF (0.57) TDP1MITFSLC6A2SLC6A4SLC6A3
SCHEMBL2587081 0.67 CA1 (0.43) CA1CA2CA4CA9
SCHEMBL5032600 0.67 CA1 (0.38) CA1CA2CA4CA9
SCHEMBL27629297 0.67 MITF (0.50) TDP1MITFL3MBTL1CA1CA2
SCHEMBL5695792 0.66 TDP1 (0.47) TDP1MITFL3MBTL1SLC6A2SLC6A4
SCHEMBL21358777 0.66 TAAR1 (0.35) CA1CA2CA4CA9
SCHEMBL4649567 0.66 SLC6A2 (0.50) TDP1MITFCA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690051-B1 DIAZACYCLOALKANEALKYLSULFONAMIDE DERIVATIVE AZWELL INC (JP) 2001-07-18 — — EP disclosed
US-5716950-A NONTOXIC ANTIALLERGEN AND ANTIASTHMATIC HAVING LOW ANTIHISTAMINIC SIDE EFFECTS NIPPON SHOJI KABUSHIKI KAISHA (JP) 1998-02-10 — — US disclosed
EP-0690051-A1 DIAZACYCLOALKANEALKYLSULFONAMIDE DERIVATIVE NIPPON SHOJI KABUSHIKI KAISHA (JP) 1996-01-03 — — EP disclosed
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