SCHEMBL26103528

SCHEMBL26103528

CC(C)(C)OC(=O)N1CC(CC(C)(C)[S+]=O)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
NAMPT P43490 1/20 0.44
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
PKM P14618 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
RORC P51449 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
SCHEMBL15804474 0.84 NR1H2 (0.60) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL10293026 0.81 NR1H2 (0.60) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL21063626 0.80 NR1H2 (0.58) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL21063507 0.79 NR1H2 (0.54) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL14256078 0.78 NR1H2 (0.61) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL447929 0.78 NR1H2 (0.60) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL72498 0.78 NR1H2 (0.75) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL1193811 0.76 NR1H2 (0.58) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL4932254 0.76 NR1H2 (0.58) NR1H2NAMPTUSP2SMN1; SMN2KDM4E
SCHEMBL344307 0.76 NR1H2 (0.58) NR1H2NAMPTUSP2SMN1; SMN2KDM4E

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-2023071998-A1 NOVEL PYRIDO OR TRIAZINE-SUBSTITUTED PYRIDO HETEROCYCLIC COMPOUND 杭州德睿智药科技有限公司 2023-05-04 WO disclosed