SCHEMBL11065739

SCHEMBL11065739

CCC(C)(C)c1ncc(NC(N)=S)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GLA P06280 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
SCHEMBL10959341 0.79 L3MBTL1 (0.37) ALDH1A1L3MBTL1CYP1A2CYP3A4GLA
SCHEMBL11061474 0.77 L3MBTL1 (0.34) L3MBTL1CYP1A2CYP3A4GLA
SCHEMBL11058685 0.76 L3MBTL1 (0.40) ALDH1A1LMNAL3MBTL1CYP1A2CYP3A4
SCHEMBL11065100 0.72 MEN1 (0.35) L3MBTL1
SCHEMBL11060716 0.70 MEN1 (0.36) LMNACYP3A4
SCHEMBL11058666 0.68 ATR (0.37) L3MBTL1CYP1A2CYP3A4GLA
SCHEMBL11060997 0.68 MEN1 (0.36) ALDH1A1LMNAL3MBTL1CYP1A2CYP3A4
SCHEMBL11064903 0.66 L3MBTL1 (0.37) L3MBTL1CYP1A2CYP3A4GLA
SCHEMBL11058186 0.63 ALDH1A1 (0.33) ALDH1A1LMNAL3MBTL1CYP1A2CYP3A4
SCHEMBL21376744 0.63 LMNA (0.33) LMNA

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-4434167-A Pyrimidyl thioureas useful for the treatment of hypertension and hyperlipidemia BEIERSDORF AKTIENGESELLSCHAFT (DE) 1984-02-28 US disclosed