SCHEMBL11064906

SCHEMBL11064906

CCCOc1nc(C)ncc1N(S)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
MAPK8 P45983 1/20 0.32
MAP4K2 Q12851 1/20 0.32
PKN2 Q16513 1/20 0.32
MAP4K5 Q9Y4K4 1/20 0.32
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 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
SCHEMBL11058688 0.83 POLB (0.35) LMNA
SCHEMBL11057360 0.80 MAP3K7 (0.38) MAP3K7TAB1PRKD3MAP4K4MAPK8
SCHEMBL11060720 0.77 CYP3A4 (0.36) MAPK8LMNATSHRMAPK1MEN1
SCHEMBL11065729 0.76 LMNA (0.38) LMNATSHRKDM4EMEN1ALDH1A1
SCHEMBL11061001 0.75 MEN1 (0.35) MEN1KMT2A
SCHEMBL11060675 0.73 LMNA (0.33) MAP3K7TAB1PRKD3MAP4K4MAPK8
SCHEMBL11061481 0.70 PLAU (0.33) TSHRMAPK1MEN1KMT2A
SCHEMBL10959345 0.69 PLAU (0.41)
SCHEMBL11058190 0.68 PARP10 (0.32) TSHR
SCHEMBL11059949 0.67 ACACB (0.33) MAP3K7TAB1

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