SCHEMBL29211014

SCHEMBL29211014

N=C1SCC(=O)N1c1cccc2ocnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
OPRK1 P41145 4/20 0.40
CCR6 P51684 3/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL30514206 1.00 KMT2A (0.40) KMT2AMEN1OPRK1CCR6MCOLN3
SCHEMBL30514207 0.76 SMN1; SMN2 (0.38) KMT2AMEN1OPRK1CCR6MCOLN3
SCHEMBL24534289 0.76 SMN1; SMN2 (0.38) KMT2AMEN1OPRK1CCR6MCOLN3
SCHEMBL30514210 0.74 DDB1 (0.39) KMT2AMEN1OPRK1CCR6MCOLN3
SCHEMBL24534297 0.74 DDB1 (0.39) KMT2AMEN1OPRK1CCR6MCOLN3
SCHEMBL24534299 0.74 DRD2 (0.41) KMT2AMEN1OPRK1CCR6MCOLN3
SCHEMBL24534282 0.70 SMN1; SMN2 (0.43) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL30514204 0.70 SMN1; SMN2 (0.43) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL24534319 0.69 KMT2A (0.40) KMT2AMEN1OPRK1CCR6MCOLN3
SCHEMBL30514198 0.69 KMT2A (0.40) KMT2AMEN1OPRK1CCR6MCOLN3

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-116406231-A Molecules having certain pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-07-07 CN disclosed