SCHEMBL9401757

SCHEMBL9401757

O=S(=O)(O)OCCS(=O)(=O)c1ccccc1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.51
TTR P02766 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
MAPK14 Q16539 1/20 0.51
NR4A1 P22736 1/20 0.50
FABP1 P07148 1/20 0.48
SNCA P37840 2/20 0.45
CHAT P28329 1/20 0.45
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RECQL P46063 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NSD2 O96028 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
APOBEC3A P31941 1/20 0.44

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
SCHEMBL9549792 0.82 FABP1 (0.35) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL9449199 0.79 SNCA (0.49) FABP1SNCAMAPTKDM4EGAA
SCHEMBL8573899 0.77 HSD17B10 (0.38) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL3708176 0.76 MYC (0.36) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL6264332 0.76 FABP4 (0.70) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL9449279 0.75 SNCA (0.46) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL8740691 0.74 EPHX2 (0.41) CDK2MAPTKDM4EGAATDP1
SCHEMBL14632174 0.74 FABP4 (0.47) FABP4TTRCCNA2CDK2MAPK14
SCHEMBL11432503 0.74 BCAT2 (0.48) MAPTKDM4EGAATDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL1556275 0.74 NR4A1 (0.71) FABP4TTRCCNA2CDK2MAPK14

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
US-5278292-A Aromatic sulfonyl water-soluble color materials HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed
US-5231172-A Water solubility HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5227475-A WATER-SOLUBLE FIBER-REACTIVE DYESTUFFS CONTAINING A CYANAMIDO-SUBSTITUTED TRIAZINYLAMINO-GROUPING, AND A PROCESS FOR DYEING WITH THE USE OF THESE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed