Thiourea

Thiourea

SCHEMBL5598366

N#CCC(=O)NC(N)=S.NC(N)=S

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.46
ALDH1A1 P00352 7/20 0.42
GAA P10253 4/20 0.42
CYP3A4 P08684 1/20 0.42
TAS2R38 P59533 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 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
SCHEMBL517963 0.98
SCHEMBL3415473 0.85 MCL1 (0.58) MCL1ALDH1A1GAACYP3A4TAS2R38
SCHEMBL670466 0.79
SCHEMBL1070231 0.76
SCHEMBL6769908 0.72
SCHEMBL4482343 0.70 MCL1 (0.52) MCL1ALDH1A1GAACYP3A4POLB
SCHEMBL18053603 0.70
SCHEMBL9202307 0.70 MCL1 (0.52) MCL1ALDH1A1GAACYP3A4POLB
SCHEMBL9281726 0.69
SCHEMBL28335251 0.69

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856167-A1 POLYVINYLAMMONIUM COMPOUND, METHOD OF MANUFACTURING SAME, ACIDIC SOLUTION CONTAINING SAID COMPOUND AND METHOD OF ELECTROLYTICALLY DEPOSITING A COPPER DEPOSIT ATOTECH Deutschland GmbH (DE) 2007-11-21 EP disclosed
WO-2006094755-A1 POLYVINYLAMMONIUM COMPOUND, METHOD OF MANUFACTURING SAME, ACIDIC SOLUTION CONTAINING SAID COMPOUND AND METHOD OF ELECTROLYTICALLY DEPOSITING A COPPER DEPOSIT ATOTECH DEUTSCHLAND GMBH (DE) 2006-09-14 WO disclosed