SCHEMBL29440339

SCHEMBL29440339

C=C1CCN(C(=O)OC(C)(C)C)CC1(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
ADORA1 P30542 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
USP30 Q70CQ3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37

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
SCHEMBL20156576 0.83 NR1H2 (0.45) USP2SMN1; SMN2ESR2NR1H2DDB1
SCHEMBL518157 0.83 USP2 (0.42) USP2SMN1; SMN2ESR2NR1H2DDB1
Water SCHEMBL26621617 0.82 USP2 (0.41) USP2SMN1; SMN2ESR2NR1H2DDB1
SCHEMBL29286890 0.82 USP2 (0.41) USP2SMN1; SMN2ESR2NR1H2DDB1
SCHEMBL29116107 0.79 USP30 (0.46) USP2SMN1; SMN2ESR2NR1H2DDB1
SCHEMBL30774901 0.79 RORC (0.40) USP2SMN1; SMN2ESR2NR1H2DDB1
SCHEMBL18297062 0.78 USP2 (0.39) USP2SMN1; SMN2ESR2NR1H2DDB1
SCHEMBL18280996 0.78 USP2 (0.39) USP2SMN1; SMN2ESR2NR1H2DDB1
SCHEMBL18280999 0.78 USP2 (0.39) USP2SMN1; SMN2ESR2NR1H2DDB1
SCHEMBL27143468 0.77 EPHX2 (0.39) USP2SMN1; SMN2ESR2NR1H2DDB1

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-114206872-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists 百济神州有限公司 2022-03-18 CN disclosed