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Sugi Predict / Compounds / Isothiocyanate

Isothiocyanate

Isothiocyanate

SCHEMBL28295717

Fc1cccc(OCc2ccccc2)c1.N=C=S

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 12/20 0.55
▸ NR4A2 P43354 3/20 0.54
▸ MAOA P21397 2/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ CYP4F2 P78329 1/20 0.50
▸ CYP4A11 Q02928 1/20 0.50
▸ BCHE P06276 1/20 0.50
▸ GPR34 Q9UPC5 1/20 0.49

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
SCHEMBL669237 0.90 MAOB (0.65) MAOBNR4A2MAOAMRGPRX4CYP4F2
SCHEMBL28311147 0.86 NR4A2 (0.62) MAOBNR4A2MAOAMRGPRX4CYP4F2
SCHEMBL26830356 0.81 MAOB (0.58) MAOBNR4A2MAOAMRGPRX4CYP4F2
SCHEMBL11959694 0.80 MAOB (0.72) MAOBNR4A2MAOA
SCHEMBL1268719 0.77 MAOB (0.81) MAOBNR4A2MAOACYP4F2CYP4A11
SCHEMBL7817242 0.77 MAOB (0.54) MAOBNR4A2MAOACYP4F2CYP4A11
SCHEMBL995120 0.77 MAOB (0.73) MAOBNR4A2MAOA
SCHEMBL7817239 0.77 MAOB (0.60) MAOBNR4A2MAOACYP4F2CYP4A11
SCHEMBL5042093 0.76 ALOX5 (0.55) MAOBMAOACYP4F2CYP4A11BCHE
SCHEMBL31160636 0.76 MEN1 (0.59) MAOBMAOACYP4F2CYP4A11BCHE

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-109824603-A A kind of pyrimidinamine compound, preparation method and application 浙江省化工研究院有限公司 2019-05-31 — — CN disclosed