SCHEMBL8664376

SCHEMBL8664376

Cc1ccc(-n2c(Cl)nn(C)c2=O)c(COS(C)(=O)=O)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
SETDB1 Q15047 1/20 0.33
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
RCE1 Q9Y256 1/20 0.30
BRD9 Q9H8M2 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
SCHEMBL8670561 0.89 DDR1 (0.35) SMN1; SMN2SETDB1LMNAALDH1A1BRD9
SCHEMBL8666669 0.84 SETDB1 (0.36) SMN1; SMN2SETDB1
SCHEMBL8663188 0.81 ALDH1A1 (0.42) SMN1; SMN2SETDB1LMNATP53MEN1
SCHEMBL8664609 0.81 SETDB1 (0.37) SMN1; SMN2SETDB1LMNAMAPTTP53
SCHEMBL8660658 0.69 SETDB1 (0.39) SMN1; SMN2SETDB1LMNAMAPTBRD9
SCHEMBL6301740 0.69 KDM4A (0.38) SMN1; SMN2LMNAMAPTALDH1A1POLB
SCHEMBL5643020 0.68 TAAR1 (0.44) MEN1ALDH1A1POLBKMT2ATDP1
SCHEMBL8675983 0.67 SETDB1 (0.38) SMN1; SMN2SETDB1LMNAALDH1A1BRD9
SCHEMBL17212275 0.66 FFAR4 (0.42) SMN1; SMN2LMNAMAPTTP53ALDH1A1
SCHEMBL8155272 0.66 NPC1 (0.34) SMN1; SMN2SETDB1LMNAMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874831-A1 PROCESSES AND COMPOUNDS FOR PREPARING CYCLIC UREA FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-11-04 EP disclosed
WO-1997019935-A1 PROCESSES AND COMPOUNDS FOR PREPARING CYCLIC UREA FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-06-05 WO disclosed