SCHEMBL9596396

SCHEMBL9596396

NC(=O)c1ccc(OC2CNC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.67
SENP8 Q96LD8 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
MAP4K4 O95819 1/20 0.52
PARP4 Q9UKK3 2/20 0.52
PARP15 Q460N3 2/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
PARP14 Q460N5 1/20 0.52
PARP16 Q8N5Y8 1/20 0.52
PARP11 Q9NR21 1/20 0.52
PARP2 Q9UGN5 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
PARP1 P09874 1/20 0.48
CHEK2 O96017 1/20 0.47
OPRK1 P41145 1/20 0.47
KCNH2 Q12809 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL23830909 0.89 PARP10 (0.55) PARP10SENP8SENP6MAP4K4PARP4
SCHEMBL3133910 0.87 PARP10 (0.64) PARP10SENP8SENP6MAP4K4PARP15
Hydrochloric Acid SCHEMBL3127575 0.85 PARP10 (0.62) PARP10SENP8SENP6MAP4K4CHEK2
SCHEMBL3634169 0.84 PARP10 (0.69) PARP10SENP8SENP6MAP4K4PARP15
SCHEMBL17908097 0.84 ALDH1A1 (0.64) PARP10SENP8SENP6ALDH1A1CA1
SCHEMBL4798997 0.83 PARP10 (0.73) PARP10SENP8SENP6MAP4K4PARP4
SCHEMBL10805086 0.82 LMNA (0.56) PARP10SENP8SENP6ALDH1A1SLC6A2
Hydrochloric Acid SCHEMBL3636392 0.81 PARP10 (0.71) PARP10SENP8SENP6MAP4K4PARP4
SCHEMBL9596602 0.80 OPRK1 (0.59) PARP10PARP15PARP14PARP2PARP1
SCHEMBL10837402 0.80 PARP10 (0.51) PARP10SENP8SENP6MAP4K4PARP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183902-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1993-02-02 US disclosed
US-5151418-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-09-29 US disclosed
US-5068231-A Ureas and thioureas for relaxing muscles A. H. ROBINS COMPANY INCORPORATED (US) 1991-11-26 US disclosed
EP-0194112-B1 3-ARYL-OXYAZETIDINECARBOXAMIDES HAVING ANTI-MUSCLE TENSION, ANTI-MUSCLE SPASTICITY, ANTICONVULSANT AND ANTIEPILECTIC ACTIVITY A.H. ROBINS COMPANY, INCORPORATED (US) 1990-05-23 EP disclosed
EP-0131435-B1 PROCESS FOR PREPARING 3-PHENOXY-1-AZETIDINES AND CARBOXAMIDE DERIVATIVES A.H. ROBINS COMPANY, INCORPORATED (US) 1987-10-07 EP disclosed
EP-0102740-B1 N-FORMYL AND N-HYDROXYMETHYL-3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR PREPARATION AND USE A.H. ROBINS COMPANY, INCORPORATED (US) 1986-11-05 EP disclosed
EP-0102194-B1 3-PHENOXY-1-AZETIDINECARBOXAMIDES AND THEIR USE AND PREPARATION A.H. ROBINS COMPANY, INCORPORATED (US) 1986-10-22 EP disclosed
EP-0194112-A1 3-Aryl-oxyazetidinecarboxamides having anti-muscle tension, anti-muscle spasticity, anticonvulsant and antiepilectic activity A.H. ROBINS COMPANY, INCORPORATED (US) 1986-09-10 EP disclosed
US-4594189-A Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A. H. ROBINS COMPANY, INC. (US) 1986-06-10 US disclosed
US-4571393-A ANTICONVULSANT TREATMENT FOR MAMMALS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-02-18 US disclosed
US-4505907-A ANTICONVULSANTS A. H. ROBINS COMPANY, INC. (US) 1985-03-19 US disclosed
EP-0131435-A1 Process for preparing 3-phenoxy-1-azetidines and carboxamide derivatives A.H. ROBINS COMPANY, INCORPORATED (US) 1985-01-16 EP disclosed
EP-0102740-A1 N-formyl and n-hydroxymethyl-3-phenoxy-1-azetidinecarboxamides and their preparation and use A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-14 EP disclosed
EP-0102194-A1 3-Phenoxy-1-azetidinecarboxamides and their use and preparation A.H. ROBINS COMPANY, INCORPORATED (US) 1984-03-07 EP disclosed
US-4226861-A ANTICONVULSANTS A. H. ROBINS COMPANY, INC. (US) 1980-10-07 US disclosed