SCHEMBL23061339

SCHEMBL23061339

CC(=O)NC(=N)NC(N)=S

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.68
CRBN Q96SW2 1/20 0.46
EPHX1 P07099 3/20 0.37
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
PLK1 P53350 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
SCHEMBL49411 0.82
SCHEMBL1070826 0.82 CRBN (0.47) TAS2R38CRBNEPHX1ALDH1A1LMNA
Water SCHEMBL27731864 0.79
Thiourea SCHEMBL5693316 0.79 TAS2R38 (0.94) TAS2R38CRBNEPHX1ALDH1A1LMNA
SCHEMBL3602169 0.78 TAS2R38 (0.44) TAS2R38ALDH1A1
Acetic Acid SCHEMBL28266501 0.73 TAS2R38 (0.56) TAS2R38CRBNALDH1A1LMNAALOX15
Benzene SCHEMBL27782278 0.73 TAS2R38 (0.80) TAS2R38CRBNEPHX1ALDH1A1
SCHEMBL9430433 0.72
SCHEMBL9349224 0.71 TAS2R38 (0.76) TAS2R38CRBNEPHX1ALDH1A1LMNA
SCHEMBL8229349 0.71 TAS2R38 (0.39) TAS2R38ALDH1A1

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-20210060522-A1 GRAPHENE-BASED MATERIALS FOR THE EFFICIENT REMOVAL OF POLLUTANTS FROM WATER UNIV VIRGINIA COMMONWEALTH (US) 2021-03-04 US disclosed