SCHEMBL11060716

SCHEMBL11060716

CCCCCOc1nc(OC)ncc1NC(N)=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PABPC1 P11940 1/20 0.36
XDH P47989 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
NOS1 P29475 2/20 0.32
MAPK8 P45983 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
HTR2B P41595 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL10959341 0.83 L3MBTL1 (0.37) MEN1KMT2ACYP3A4MAPT
SCHEMBL11065726 0.81 XDH (0.37) MEN1KMT2AXDHCDK1CCNB1
SCHEMBL11061474 0.79 L3MBTL1 (0.34) MEN1KMT2APABPC1CYP3A4MAPT
SCHEMBL11060997 0.78 MEN1 (0.36) MEN1KMT2AMAPK8LMNACYP3A4
SCHEMBL11065100 0.76 MEN1 (0.35) MEN1KMT2APABPC1XDH
SCHEMBL11064903 0.76 L3MBTL1 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL11060673 0.73 MAPK1 (0.35) MEN1KMT2APABPC1XDHCDK1
SCHEMBL11063670 0.72 CDC7 (0.34) MEN1KMT2APABPC1XDHCDK1
SCHEMBL11065739 0.70 ALDH1A1 (0.33) LMNACYP3A4
SCHEMBL11060720 0.70 CYP3A4 (0.36) MEN1KMT2ACDK1CCNB1CCNA2

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