SCHEMBL11065729

SCHEMBL11065729

CCCCCCCOc1nc(CCCCC)ncc1N(S)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NR1I2 O75469 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PLA2G2A P14555 2/20 0.34
BLM P54132 1/20 0.34
XDH P47989 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11065105 0.91 MEN1 (0.31) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL11060720 0.82 CYP3A4 (0.36) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL11062623 0.80 LMNA (0.37) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL11061001 0.73 MEN1 (0.35) MEN1KMT2A
SCHEMBL11058684 0.73 LMNA (0.43) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL11065726 0.71 XDH (0.37) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL11062429 0.69 MAPT (0.38) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL11061481 0.69 PLAU (0.33) MEN1KMT2ATSHR
SCHEMBL11063674 0.68 CYP3A4 (0.38) LMNAMEN1KMT2ANR1I2CHRM2
SCHEMBL11061057 0.67 MAP3K7 (0.37) LMNAMEN1KMT2ANR1I2CHRM2

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