SCHEMBL28089586

SCHEMBL28089586

CN1CCC[C@H]1C(=O)OS(=O)(=O)c1ccc(Cl)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HCRTR1 O43613 9/20 0.39
HCRTR2 O43614 9/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RECQL P46063 1/20 0.36
PLAU P00749 3/20 0.36
HTT P42858 1/20 0.36
VCAM1 P19320 1/20 0.36
CASP1 P29466 1/20 0.35

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
SCHEMBL28089580 1.00 TSHR (0.40) TSHRHCRTR1HCRTR2MEN1KMT2A
SCHEMBL28089452 0.84 VCAM1 (0.53) VCAM1
SCHEMBL14905820 0.76 CASP3 (0.59) TSHRHCRTR1HCRTR2MEN1KMT2A
SCHEMBL28089587 0.76 FKBP1A (0.56) MEN1KMT2AHTT
SCHEMBL14895020 0.72 TSHR (0.58) TSHRHCRTR1HCRTR2MEN1KMT2A
SCHEMBL14895449 0.72 TSHR (0.58) TSHRHCRTR1HCRTR2MEN1KMT2A
SCHEMBL14895021 0.72 TSHR (0.58) TSHRHCRTR1HCRTR2MEN1KMT2A
SCHEMBL28926487 0.70 TAAR1 (0.44) TSHRMEN1KMT2APLAU
SCHEMBL28926520 0.70 TAAR1 (0.44) TSHRMEN1KMT2APLAU
SCHEMBL16169932 0.69 PSEN1 (0.60) TSHRHCRTR1HCRTR2MEN1KMT2A

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-103958505-B For treating dibasic 3,4-diaminourea-3-cyclobutane-1,2-dione compounds of chemokine mediated pathology 高德美研究及发展公司 2016-08-24 CN disclosed