SCHEMBL7528318

SCHEMBL7528318

C#COCCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 7/20 0.45
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 7/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
IDO1 P14902 2/20 0.43
EPHX1 P07099 1/20 0.42
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL13759236 0.90 TDP1 (0.45) TDP1MEN1GAAKMT2ACA12
SCHEMBL944481 0.90 TDP1 (0.45) TDP1MEN1GAAKMT2ACA12
SCHEMBL7276391 0.84 TDP1 (0.51) TDP1MEN1GAAKMT2ACA12
SCHEMBL612182 0.79 TDP1 (0.47) TDP1MEN1GAAKMT2ACA12
SCHEMBL13055393 0.79 TDP1 (0.58) TDP1MEN1GAAKMT2ACA12
SCHEMBL612201 0.78 TDP1 (0.46) TDP1MEN1GAAKMT2ACA12
SCHEMBL3341020 0.78 TDP1 (0.67) TDP1MEN1GAAKMT2ACA12
SCHEMBL479811 0.78 TDP1 (0.53) TDP1MEN1GAAKMT2ACA12
SCHEMBL23574971 0.77 TDP1 (0.56) TDP1MEN1GAAKMT2ACA12
SCHEMBL791556 0.77 TDP1 (0.56) TDP1MEN1GAAKMT2ACA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687251-B1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI SYNTHELABO (FR) 2002-02-27 EP disclosed
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed
WO-1995018105-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-07-06 WO disclosed