SCHEMBL11058684

SCHEMBL11058684

CCCCCCOc1ncnc(OCCCCCC)c1N(S)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PLA2G2A P14555 2/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL11061057 0.94 MAP3K7 (0.37) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL11063674 0.93 CYP3A4 (0.38) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL11062429 0.78 MAPT (0.38) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL11062623 0.77 LMNA (0.37) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL11060720 0.71 CYP3A4 (0.36) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL3428654 0.71 TP53 (0.53) LMNAMAPTTSHRTP53HSD17B10
SCHEMBL11058678 0.68 LMNA (0.39) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL8937059 0.66 CDK1 (0.49) LMNACYP3A4MAPTMEN1NR1I2
6-(Decyloxy)Purine SCHEMBL6234481 0.66 CDK1 (0.49) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL5175458 0.66 CDK1 (0.49) LMNACYP3A4MAPTMEN1NR1I2

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