SCHEMBL11666355

SCHEMBL11666355

C=CCNC(=S)OCC=C.[Cu]

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 3/20 0.33
KMT2A Q03164 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32

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
SCHEMBL1692037 0.98 ALDH1A1 (0.48) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL11169209 0.80
SCHEMBL7074751 0.78
SCHEMBL11015038 0.75 TSHR (0.38) ALDH1A1TSHRMAPTKMT2ACACNA1B
SCHEMBL10885725 0.75 HPGD (0.44) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL10888024 0.75
SCHEMBL1691862 0.74 ALDH1A1 (0.46) ALDH1A1TSHRMAPTSMN1; SMN2GAA
SCHEMBL27955078 0.74 TDP1 (0.38) ALDH1A1TSHRMAPTSMN1; SMN2CACNA1B
SCHEMBL10825876 0.73
SCHEMBL22638031 0.73

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-4082712-A TERT-BUTYL-PERBENZOATE HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-04-04 US claimed