SCHEMBL4560331

SCHEMBL4560331

C=CCNC(=S)SSSSC(N)=S

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 1/20 0.35
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KDM4A O75164 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL361360 0.88 ALDH1A1 (0.56) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL20734581 0.81 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2KDM4A
SCHEMBL9847848 0.74 KDM4A (0.62) ALDH1A1KDM4ALMNA
SCHEMBL20734640 0.72 KDM4A (0.67) ALDH1A1TSHRMAPTPOLBSMN1; SMN2
SCHEMBL10488735 0.72 ALDH1A1 (0.45) ALDH1A1TSHRMAPTSMN1; SMN2KDM4A
SCHEMBL11855121 0.70
Allylthiourea SCHEMBL29372 0.69
SCHEMBL223861 0.68 TSHR (0.39) TSHR
SCHEMBL8601008 0.68
Allylthiourea SCHEMBL28461431 0.68

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-20090246658-A1 THIURAM TETRASULFIDE CONTAINING PHOTOGENERATING LAYER XEROX CORPORATION (US) 2009-10-01 US claimed