SCHEMBL20734640

SCHEMBL20734640

C=CCNC(=S)SSC(=S)NCC

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.67
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.37
FAAH O00519 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL20734581 0.89 ALDH1A1 (0.54) KDM4AALDH1A1TSHRMAPTGAA
SCHEMBL1054169 0.82 KDM4A (1.00) KDM4AALDH1A1TSHRCYP3A4MAPT
SCHEMBL361360 0.79 ALDH1A1 (0.56) KDM4AALDH1A1TSHRMAPTGAA
SCHEMBL11855121 0.78
SCHEMBL4272715 0.76
SCHEMBL10488735 0.75 ALDH1A1 (0.45) KDM4AALDH1A1TSHRCYP3A4MAPT
SCHEMBL7976644 0.72 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4MAPTGAA
SCHEMBL11588899 0.72
SCHEMBL28351270 0.72 KDM4A (0.79) KDM4AALDH1A1TSHRCYP3A4MAPT
SCHEMBL4560331 0.72 ALDH1A1 (0.52) KDM4AALDH1A1TSHRMAPTGAA

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-20190049838-A1 Photosensitive Microcapsules ENCAPSYS, LLC 2019-02-14 US disclosed