SCHEMBL8497616

SCHEMBL8497616

CCC([n+]1c(OC)ccc2ccccc21)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
APOBEC3A P31941 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
AKR1C3 P42330 4/20 0.31
AKR1C2 P52895 4/20 0.31
ACHE P22303 1/20 0.31
SLC2A1 P11166 1/20 0.30
AKR1C1 Q04828 1/20 0.30
PTGS1 P23219 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9011152 0.82 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL5546357 0.80 ATM (0.41) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL9011089 0.73 MEN1 (0.42) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL5684840 0.68 HPGD (0.51) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL7042998 0.66 MEN1 (0.48) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL5134000 0.66
SCHEMBL9010948 0.65 MEN1 (0.40) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL16470550 0.63 CYP1A2 (0.35) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL11004477 0.62 ATM (0.48) KDM4EALDH1A1MEN1KMT2AUSP2
SCHEMBL17867480 0.61 KMT2A (0.51) KDM4EALDH1A1MEN1KMT2AUSP2

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-5985824-A Methods and compositions for treating cystic fibrosis GENZYME CORPORATION (US) 1999-11-16 US disclosed