SCHEMBL11060944

SCHEMBL11060944

CCc1ncncc1NC(N)=S

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
MAP4K1 Q92918 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CYP17A1 P05093 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
SCHEMBL11062437 0.86 ALDH1A1 (0.35) L3MBTL1CYP1A2CYP3A4GLAMAPT
SCHEMBL11058186 0.78 ALDH1A1 (0.33) L3MBTL1CYP1A2CYP3A4GLAMAPT
SCHEMBL11058659 0.77 L3MBTL1 (0.41) L3MBTL1CYP1A2CYP3A4GLAMAPT
SCHEMBL11057358 0.75 MAP3K7 (0.36) L3MBTL1CYP1A2CYP3A4MAPT
SCHEMBL11060673 0.74 MAPK1 (0.35)
SCHEMBL11058666 0.73 ATR (0.37) L3MBTL1CYP1A2CYP3A4GLAMAPT
SCHEMBL11058623 0.70 ATR (0.40) L3MBTL1CYP1A2CYP3A4GLAMAPT
SCHEMBL21254510 0.69 KMT2A (0.34) L3MBTL1MAP4K1CYP17A1
SCHEMBL7345038 0.69 HSPA5 (0.36) CYP1A2CYP3A4MAPT
SCHEMBL6114006 0.67 GSK3B (0.47) L3MBTL1MAPT

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