SCHEMBL6676507

SCHEMBL6676507

NC(=O)NCSCNC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 5/20 0.37
NFKB1 P19838 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
THPO P40225 1/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
CA5A P35218 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.31
BCAT2 O15382 1/20 0.31
CRBN Q96SW2 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
SCHEMBL3071348 0.79
SCHEMBL5313399 0.77
SCHEMBL26894605 0.77
SCHEMBL16741952 0.75 ARG1 (0.47) CYP1A2BLMPMP22ALDH1A1
SCHEMBL21267557 0.71
SCHEMBL175234 0.69 TDP1 (0.46) TDP1TSHRNFKB1LMNACYP1A2
SCHEMBL1840414 0.69
SCHEMBL9056681 0.69 TSHR (0.55) TSHRNFKB1CA2ALDH1A1
SCHEMBL4409980 0.67
SCHEMBL28308432 0.67 TDP1 (0.43) TDP1TSHRNFKB1LMNACYP1A2

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
WO-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 WO disclosed