SCHEMBL11570669

SCHEMBL11570669

COc1ccc(NS(C)(=O)=O)cc1OC(=O)CCN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ADRA2C P18825 2/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 2/20 0.45
HTR6 P50406 1/20 0.44
ALOX15 P16050 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
CYP17A1 P05093 4/20 0.42
KDM1A O60341 2/20 0.42
KCNH2 Q12809 2/20 0.42
GLA P06280 2/20 0.42
SLC22A1 O15245 1/20 0.42

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
SCHEMBL12017964 0.79 SMN1; SMN2 (0.67) KMT2AMAPK1MEN1ALDH1A1ADRA2C
SCHEMBL12970664 0.75 MEN1 (0.52) KMT2AMAPK1MEN1ALDH1A1ADRA2C
SCHEMBL11654455 0.74 ALDH1A1 (0.46) KMT2AMAPK1MEN1ALDH1A1SMN1; SMN2
SCHEMBL11570666 0.74 ADRA2C (0.52) KMT2AMAPK1MEN1ALDH1A1ADRA2C
SCHEMBL17518984 0.74 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL2446173 0.71 MAPT (0.55) KMT2AMAPK1ALDH1A1ADRA2CLMNA
SCHEMBL8013861 0.71 KCNH2 (0.56) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL8864726 0.71 ALDH1A1 (0.57) KMT2AMAPK1MEN1ALDH1A1LMNA
SCHEMBL5359155 0.71 ALDH1A1 (0.53) KMT2AMAPK1MEN1ALDH1A1ADRA2C
SCHEMBL6992085 0.71 TSHR (0.54) KMT2AMAPK1MEN1ALDH1A1ADRA2C

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-4179435-A SULPHONIC ACID-FREE CIBA-GEIGY CORPORATION (US) 1979-12-18 US disclosed