SCHEMBL7645758

SCHEMBL7645758

O=C(Nc1ccc(NC(=S)Nc2ccc(Cl)cc2O)cc1)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.60
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 2/20 0.52
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
P2RX1 P51575 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PNLIP P16233 1/20 0.49
GRM4 Q14833 1/20 0.49
HTT P42858 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL6812335 0.91 KCNMA1 (0.75) KCNMA1KMT2AMEN1TDP1LMNA
SCHEMBL6819253 0.87 KCNMA1 (0.58) KCNMA1KMT2AMEN1TDP1LMNA
SCHEMBL6811714 0.86 KMT2A (0.71) KMT2AMEN1TDP1LMNAALDH1A1
SCHEMBL6816687 0.85 KCNMA1 (0.56) KCNMA1KMT2AMEN1TDP1LMNA
SCHEMBL6819355 0.84 MAPK1 (0.66) KMT2AMEN1TDP1LMNAALDH1A1
SCHEMBL6816880 0.83 MEN1 (0.64) KMT2AMEN1TDP1LMNAALDH1A1
SCHEMBL6816582 0.83 MEN1 (0.65) KMT2AMEN1TDP1LMNAALOX15
SCHEMBL6815798 0.82 KCNMA1 (0.53) KCNMA1KMT2AMEN1TDP1LMNA
SCHEMBL6815397 0.82 FADS1 (0.66) KMT2AMEN1TDP1LMNAALOX15
SCHEMBL7645761 0.81 KCNMA1 (0.55) KCNMA1KMT2AMEN1TDP1LMNA

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-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed