SCHEMBL11095224

SCHEMBL11095224

CC(=O)Nc1cccc2cccc(S(=O)(=O)Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
SLC40A1 Q9NP59 1/20 0.47
CASP6 P55212 1/20 0.47
TTR P02766 1/20 0.43
FABP4 P15090 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK14 Q16539 1/20 0.43
NR4A1 P22736 1/20 0.42
MAOA P21397 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CD40 P25942 1/20 0.42
CD40LG P29965 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11759224 0.86 TTR (0.59) ALDH1A1HPGDKDM4EMAPTSLC40A1
SCHEMBL29350373 0.82 ALDH1A1 (0.53) ALDH1A1HPGDSLC40A1MAOACA1
SCHEMBL1279094 0.82 ALDH1A1 (0.53) ALDH1A1HPGDSLC40A1MAOACA1
SCHEMBL3529089 0.79 EDNRA (0.53) ALDH1A1HPGDKDM4EMAPTSLC40A1
SCHEMBL3513570 0.75 MAPT (0.57) ALDH1A1HPGDKDM4EMAPTCASP6
SCHEMBL10506952 0.75 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTSLC40A1
SCHEMBL10565795 0.74 SMN1; SMN2 (0.45) ALDH1A1HPGDSLC40A1MAOACA1
SCHEMBL38666282 0.73 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTCASP6
SCHEMBL17010325 0.73 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTCASP6
SCHEMBL11215465 0.73 FABP4 (0.72) ALDH1A1HPGDKDM4EMAPTSLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487725-A Process for the preparation of N-acetylaminoarylsulfonic acids in sulfuric acid as solvent HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-11 US disclosed