SCHEMBL8649231

SCHEMBL8649231

O=S(=O)([O-])c1ccc(F)cc1.c1cc(OC2CCCO2)cc([S+](c2cccc(OC3CCCO3)c2)c2cccc(OC3CCCO3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
DHFR P00374 1/20 0.35
HSD11B1 P28845 1/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
LMNA P02545 4/20 0.33
HTT P42858 2/20 0.33
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
S1PR3 Q99500 1/20 0.31
RAB9A P51151 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL8647659 0.86 CXCR4 (0.35) TP53TSHRKDM4EMEN1KMT2A
SCHEMBL8081813 0.86 MEN1 (0.40) DHFRHSD11B1TSHRMEN1KMT2A
SCHEMBL8645325 0.85 S1PR3 (0.34) TP53DHFRHSD11B1TSHRMEN1
SCHEMBL8647852 0.85 DHFR (0.38) TP53DHFRHSD11B1MEN1KMT2A
SCHEMBL8324624 0.84 DHFR (0.43) TP53DHFRHSD11B1TSHRCTSD
SCHEMBL8319788 0.84 LMNA (0.36) TP53DHFRHSD11B1TSHRMEN1
SCHEMBL8649686 0.83 TSHR (0.38) TP53DHFRHSD11B1TSHRMEN1
SCHEMBL8081808 0.83 MEN1 (0.38) DHFRHSD11B1MEN1KMT2ALMNA
SCHEMBL8078886 0.83 MEN1 (0.38) DHFRHSD11B1MEN1KMT2ALMNA
SCHEMBL8645082 0.82 DHFR (0.36) TP53DHFRHSD11B1MEN1KMT2A

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