SCHEMBL11058685

SCHEMBL11058685

COc1nc(C)ncc1NC(N)=S

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 3/20 0.35
GLA P06280 1/20 0.35
NTRK1 P04629 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
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
SCHEMBL10959341 0.84 L3MBTL1 (0.37) L3MBTL1CYP1A2CYP3A4MAPTGLA
SCHEMBL11064903 0.82 L3MBTL1 (0.37) L3MBTL1CYP1A2CYP3A4MAPTGLA
SCHEMBL11061474 0.79 L3MBTL1 (0.34) L3MBTL1CYP1A2CYP3A4MAPTGLA
SCHEMBL11065739 0.76 ALDH1A1 (0.33) L3MBTL1CYP1A2CYP3A4GLAALDH1A1
SCHEMBL16693782 0.75 LMNA (0.34) NTRK1ALDH1A1HTTLMNAMEN1
SCHEMBL11058666 0.75 ATR (0.37) L3MBTL1CYP1A2CYP3A4MAPTGLA
SCHEMBL26789781 0.75 HTT (0.43) MAPTNTRK1ALDH1A1HTTNPSR1
SCHEMBL10957823 0.74 ALDH1A1 (0.37) L3MBTL1CYP1A2MAPTALDH1A1HTT
SCHEMBL11065100 0.74 MEN1 (0.35) L3MBTL1MEN1KMT2A
SCHEMBL19782405 0.71 NNMT (0.51) L3MBTL1CYP1A2MAPTMEN1KMT2A

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