SCHEMBL9765221

SCHEMBL9765221

CCOC(=O)CCOC(=S)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
CTDSP1 Q9GZU7 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP6 P55212 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9765194 0.88 LMNA (0.33) LMNA
SCHEMBL9765201 0.85 GAA (0.39)
SCHEMBL9765536 0.82 KMT2A (0.37) ALDH1A1KMT2AMAPTPOLBCTDSP1
SCHEMBL11060869 0.81 MEN1 (0.44) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL11199436 0.80 BRD4 (0.42) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL9765210 0.80 KMT2A (0.38) ALDH1A1KMT2AMAPTPOLBCTDSP1
SCHEMBL10716545 0.78 MAPT (0.36) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL9765192 0.77 GRM7 (0.39)
SCHEMBL9740999 0.76 KMT2A (0.39) ALDH1A1KMT2AMAPTPOLBCTDSP1
SCHEMBL11190945 0.76 MAPT (0.41) ALDH1A1KMT2AMAPTMAPK1HTT

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
EP-0233151-B1 ESTERS AS HERBICIDES CIBA-GEIGY AG (CH) 1991-11-13 EP claimed