SCHEMBL8649883

SCHEMBL8649883

CCOC(C)Oc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 7/20 0.33
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL8644958 0.91 DAGLA (0.32)
SCHEMBL8320379 0.89 KAT6A (0.34) KAT6AALDH1A1
SCHEMBL8651776 0.85 CA2 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL8649691 0.85 GRM2 (0.36) KAT6AALDH1A1
SCHEMBL3136018 0.81 TSHR (0.40) KAT6AMEN1KMT2A
SCHEMBL8649237 0.81 GRM2 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL8318530 0.81 LMNA (0.35) ALDH1A1MEN1KMT2A
SCHEMBL8649885 0.80 MEN1 (0.44) KAT6AALDH1A1MEN1KMT2A
SCHEMBL6760271 0.78 KAT6A (0.33) KAT6A
SCHEMBL8317348 0.78 ALDH1A1 (0.32) ALDH1A1

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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed