SCHEMBL29600642

SCHEMBL29600642

O=C1NC(=O)C(Cc2ccc(O)c(O)c2)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
CXCR4 P61073 1/20 0.45
GAA P10253 5/20 0.44
MEN1 O00255 1/20 0.44
ABL1 P00519 1/20 0.44
ALPL P05186 1/20 0.44
KMT2A Q03164 1/20 0.44
RIN1 Q13671 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
CYP19A1 P11511 1/20 0.43
STK17B O94768 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1011770 1.00 THRA (0.48) THRATHRBCXCR4GAAMEN1
SCHEMBL109040 0.88 GAA (0.50) GAAMEN1ABL1ALPLKMT2A
Levodopa SCHEMBL11500329 0.85 SLC7A5 (0.63) THRATHRBCXCR4MEN1KMT2A
SCHEMBL11686246 0.83 THRA (0.50) THRATHRBCXCR4GAAMEN1
SCHEMBL15978114 0.83 CYP19A1 (0.45) GAAMEN1ABL1ALPLKMT2A
SCHEMBL30020046 0.83 CYP19A1 (0.45) GAAMEN1ABL1ALPLKMT2A
SCHEMBL9819566 0.83 SHBG (0.50) THRATHRBGAAMEN1KMT2A
SCHEMBL25471931 0.82 IGF1R (0.47) CXCR4GAAMEN1ABL1ALPL
SCHEMBL1012031 0.81 CXCR4 (0.53) THRATHRBCXCR4GAADRD2
SCHEMBL28722955 0.81 CXCR4 (0.53) THRATHRBCXCR4GAADRD2

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
CN-109468304-B Hydantoinase mutants 赢创运营有限公司 2022-04-19 CN claimed
CN-109468304-B Hydantoinase mutants 赢创运营有限公司 2022-04-19 CN disclosed