SCHEMBL20568872

SCHEMBL20568872

CC(C)(C)OC(=O)N1CC(C(=O)c2ccc(I)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
KMT2A Q03164 3/20 0.43
USP30 Q70CQ3 2/20 0.43
MGLL Q99685 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NR1H2 P55055 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
NAMPT P43490 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RORC P51449 1/20 0.40
STS P08842 2/20 0.39

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
SCHEMBL3019433 0.86 MEN1 (0.58) ABL1RIN1KMT2AMGLLMEN1
SCHEMBL21381625 0.86 HSD11B1 (0.48) ABL1RIN1KMT2AUSP30MEN1
SCHEMBL4192895 0.86 RORC (0.48) ABL1RIN1KMT2AUSP30MGLL
SCHEMBL2882463 0.85 KDM4E (0.51) KMT2AUSP30GPR119MEN1KDM4E
SCHEMBL9947987 0.84 STS (0.54) KMT2AMGLLGPR119MEN1KDM4E
SCHEMBL17729534 0.83 MAPT (0.50) KMT2AUSP30MGLLGPR119MEN1
SCHEMBL19726024 0.83 ABL1 (0.42) ABL1RIN1KMT2AUSP30GPR119
SCHEMBL19726023 0.81 ALDH1A1 (0.41) ABL1RIN1KMT2AUSP30GPR119
SCHEMBL16225186 0.80 ALDH1A1 (0.44) ABL1RIN1KMT2AUSP30GPR119
SCHEMBL16662147 0.79 LMNA (0.47) ABL1RIN1KMT2AGPR119MEN1

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
WO-2018216822-A1 NOVEL IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed