Thiourea

Thiourea

SCHEMBL28525282

NC(N)=S.O=P(O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.59

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.59
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ANPEP P15144 2/20 0.46
LAP3 P28838 2/20 0.46
POLB P06746 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL37038 0.89 SRC (0.73) SRCALDH1A1TDP1L3MBTL1ANPEP
Benzene SCHEMBL11142811 0.89 SRC (0.73) SRCALDH1A1TDP1L3MBTL1ANPEP
SCHEMBL27676341 0.89 SRC (0.73) SRCALDH1A1TDP1L3MBTL1ANPEP
Ethylene SCHEMBL28600909 0.89 SRC (0.52) SRCALDH1A1TDP1L3MBTL1ANPEP
Methylamine SCHEMBL11592407 0.87 SRC (0.64) SRCALDH1A1TDP1L3MBTL1ANPEP
SCHEMBL23241864 0.87 SRC (0.70) SRCALDH1A1TDP1L3MBTL1ANPEP
SCHEMBL150325 0.87 SRC (0.70) SRCALDH1A1TDP1L3MBTL1ANPEP
SCHEMBL9583781 0.87 SRC (0.70) SRCALDH1A1TDP1L3MBTL1ANPEP
Water SCHEMBL7104000 0.87 SRC (0.70) SRCALDH1A1TDP1L3MBTL1ANPEP
Phosphoric Acid SCHEMBL8142468 0.87 SRC (0.70) SRCALDH1A1TDP1L3MBTL1ANPEP

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
CN-109776782-B Ionic organic catalyst and preparation method and application thereof 华南理工大学 2021-02-19 CN disclosed