SCHEMBL11627635

SCHEMBL11627635

COC(=O)Cc1cccc(N=C=S)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
OPRD1 P41143 1/20 0.46
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
HSP90AB1 P08238 1/20 0.42
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 1/20 0.41
P2RY6 Q15077 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8668257 0.87 SLC7A5 (0.49) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL11665205 0.86 OPRD1 (0.47) OPRD1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL11627720 0.85 TSHR (0.55) SLC7A5OPRD1ALDH1A1MAPTMEN1
SCHEMBL6154909 0.84 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL11630471 0.81 OPRD1 (0.49) OPRD1ALDH1A1GAAMAPTHPGD
Hydrochloric Acid SCHEMBL11628256 0.80 OPRD1 (0.48) OPRD1ALDH1A1GAAMAPTHPGD
SCHEMBL11628252 0.80 OPRD1 (0.46) OPRD1ALDH1A1MAPTMEN1CYP3A4
SCHEMBL12400239 0.79 SLC7A5 (0.68) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL378633 0.74 SLC7A5 (0.55) SLC7A5ALDH1A1GAAGFERHSP90AB1
SCHEMBL2437756 0.74 ALDH1A1 (0.44) SLC7A5ALDH1A1GAAGFERHSP90AB1

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-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed