SCHEMBL7144517

SCHEMBL7144517

O=S(=O)(O)OCCNc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 4/20 0.40
CA1 P00915 2/20 0.39
FABP1 P07148 1/20 0.39
RORC P51449 1/20 0.39
ACP1 P24666 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL8445072 0.89 ALDH1A1 (0.53) MAPTALDH1A1CA12CA2CA9
SCHEMBL6478505 0.86 MAPT (0.41) MAPTALDH1A1CA12CA2CA9
SCHEMBL6477872 0.84 ALDH1A1 (0.47) MAPTALDH1A1CA12CA2CA9
SCHEMBL4824425 0.82 APP (0.39) MAPTALDH1A1CA12CA2CA9
SCHEMBL6277903 0.81 ALDH1A1 (0.47) MAPTALDH1A1CA12CA2CA9
SCHEMBL27779751 0.81 CA2 (0.46) MAPTALDH1A1CA12CA2CA9
Sulfuric Acid SCHEMBL8501572 0.77 ALDH1A1 (0.42) MAPTALDH1A1CA12CA2CA9
SCHEMBL5106885 0.76 CA1 (0.43) ALDH1A1CA12CA2CA9CA1
Sulfuric Acid SCHEMBL8501322 0.76 MAPT (0.41) MAPTALDH1A1CA12CA2CA9
SCHEMBL7883074 0.76 SMN1; SMN2 (0.40) MAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518408-B1 Fiber-reactive group is not 2-( beta -sulfatoethylsulfonyl)ethylamino when K1 and K2 are phenyl substituted by a fiber-reactive group, and the fiber-reactive group is not beta -sulfatoethylsulfonyl when K1 and K2 are N-( CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-11 US claimed
US-6518408-B1 Fiber-reactive group is not 2-( beta -sulfatoethylsulfonyl)ethylamino when K1 and K2 are phenyl substituted by a fiber-reactive group, and the fiber-reactive group is not beta -sulfatoethylsulfonyl when K1 and K2 are N-( CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-11 US disclosed
US-6518408-B1 Fiber-reactive group is not 2-( beta -sulfatoethylsulfonyl)ethylamino when K1 and K2 are phenyl substituted by a fiber-reactive group, and the fiber-reactive group is not beta -sulfatoethylsulfonyl when K1 and K2 are N-( CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-11 US disclosed
EP-1095105-B1 REACTIVE COLORANTS, PRODUCTION AND USE THEREOF CIBA SC HOLDING AG (CH) 2003-01-29 EP disclosed
EP-1095105-A1 REACTIVE COLORANTS, PRODUCTION AND USE THEREOF Ciba SC Holding AG (CH) 2001-05-02 EP disclosed
WO-2000004099-A1 REACTIVE COLORANTS, PRODUCTION AND USE THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-01-27 WO disclosed
US-5332813-A Process for the continuous reaction of difluorotriazinyl compounds with amines BAYER AKTIENGESELLSCHAFT (DE) 1994-07-26 US disclosed
US-5194607-A REACTIVE DYES WITH A TRIPHENDIOXAZINE CHROMOPHORE BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5136028-A Red; colorfastness CIBA-GEIGY CORPORATION (US) 1992-08-04 US disclosed
US-4652634-A Water-soluble monoazo compounds containing a N-(sulfoalkyl)-aniline coupling component and a fiber-reactive group of the vinylsulfonyl series in the phenyl or benzothiazole diazo component, suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
US-4283196-A FIXING BY ACTION OF AN ALKALINE AGENT AMERICAN HOECHST CORPORATION (US) 1981-08-11 US disclosed
US-4271072-A FIBER-REACTIVE, FOR DYEING NATURAL AND SYNTHETIC POLYAMIDES AND CELULOSES AMERICAN HOECHST CORPORATION (US) 1981-06-02 US disclosed