SCHEMBL8646200

SCHEMBL8646200

CN(C)c1ccc(S(OS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)(c2ccc(OC(C)(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
FFAR1 O14842 1/20 0.32
CA2 P00918 4/20 0.32
CA1 P00915 3/20 0.32
CA9 Q16790 3/20 0.31
CA12 O43570 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.31
CA4 P22748 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 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
SCHEMBL8647722 1.00 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL5406984 0.91 CA1 (0.36) ALDH1A1CA2CA1CA9CA12
SCHEMBL8645169 0.89 PGR (0.32) FFAR1CA2CA9CA12LMNA
SCHEMBL8629128 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL8083696 0.86 CA1 (0.35) ALDH1A1FFAR1CA2CA1CA12
SCHEMBL2903713 0.86 CA1 (0.35) ALDH1A1FFAR1CA2CA1CA12
SCHEMBL6140647 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL6140117 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL6140687 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL8324855 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDALOX15HSD17B10

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