SCHEMBL7402115

SCHEMBL7402115

CCOC(=O)c1cc(OCN2Cc3c(cc(OC)cc3C(C)C)S2)n(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
TP53 P04637 3/20 0.51
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.41
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
FAAH O00519 1/20 0.37
CA9 Q16790 1/20 0.36

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
SCHEMBL8611482 0.76 ELANE (0.55) POLB
SCHEMBL952878 0.71 KMT2A (0.72) POLBTP53KMT2AMAPTTDP1
SCHEMBL7402114 0.69 TP53 (0.36) POLBTP53KMT2AALDH1A1THRB
SCHEMBL6529855 0.67 KMT2A (0.56) POLBTP53KMT2AMAPTTDP1
SCHEMBL952370 0.65 KMT2A (0.62) POLBTP53KMT2AMAPTTDP1
SCHEMBL2317433 0.65 MDM2 (0.64) POLBTP53KMT2AMAPTTDP1
SCHEMBL7268 0.65 KMT2A (0.68) POLBTP53KMT2AMAPTTDP1
SCHEMBL3299372 0.65 KMT2A (0.68) POLBTP53KMT2AMAPTTDP1
SCHEMBL28625965 0.64 KMT2A (0.67) POLBTP53KMT2AMAPTTDP1
SCHEMBL6174959 0.64 TP53 (0.62) POLBTP53KMT2AMAPTTDP1

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
WO-1997010243-A1 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (US) 1997-03-20 WO disclosed