SCHEMBL8990101

SCHEMBL8990101

CC1=NN(c2ccc(S(=O)(=O)O)cc2C)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
KMT2A Q03164 2/20 0.45
CASP6 P55212 1/20 0.45
CTSG P08311 2/20 0.34
CMA1 P23946 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
AKR1C3 P42330 1/20 0.33
PKM P14618 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CASP3 P42574 1/20 0.32
MEN1 O00255 1/20 0.32
CD4 P01730 1/20 0.32

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
SCHEMBL11431757 0.85 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL9448652 0.84 ALDH1A1 (0.52) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL9309242 0.80 KAT8 (0.41) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL9357860 0.78 CA1 (0.41) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL11509806 0.76 MAPT (0.41) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL11683076 0.74 MYC (0.50) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL10412445 0.73 ALDH1A1 (0.36) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL3658575 0.71 ALDH1A1 (0.55) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL5162080 0.71 ALDH1A1 (0.41) ALDH1A1MAPTLMNAGAAKMT2A
SCHEMBL5162320 0.69 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35359-E Amine salts of azo pigments based on pyrazolone derivatives CIBA-GEIGY CORPORATION (US) 1996-10-22 US disclosed
EP-0241413-B1 AMINE SALTS OF AZO COMPOUNDS CIBA-GEIGY AG (CH) 1993-03-03 EP disclosed
US-5151505-A Monoazo dyes containing hydroxypyrazole groups CIBA-GEIGY CORPORATION (US) 1992-09-29 US disclosed
US-4992495-A Yellow pigment CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0241413-A2 Amine salts of azo compounds CIBA-GEIGY AG (CH) 1987-10-14 EP disclosed