SCHEMBL8196306

SCHEMBL8196306

O=C(O)N=C(NC(=O)OCc1ccccc1)n1cccn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
MIF P14174 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
SCHEMBL22798569 1.00 POLB (0.44) POLBATMLMNASMN1; SMN2CA12
SCHEMBL670164 0.92 POLB (0.43) POLBATMLMNASMN1; SMN2CA12
SCHEMBL5567091 0.92 POLB (0.43) POLBATMLMNASMN1; SMN2CA12
SCHEMBL670165 0.92 POLB (0.43) POLBATMLMNASMN1; SMN2CA12
SCHEMBL6764378 0.86 SYK (0.41) POLBATMSMN1; SMN2NPC1RAB9A
SCHEMBL8201443 0.82 SMN1; SMN2 (0.37) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL6764370 0.81 SYK (0.41) POLBCA12CA1
SCHEMBL6764374 0.81 SYK (0.41) POLBCA12CA1
SCHEMBL9254620 0.81 POLB (0.47) POLBLMNASMN1; SMN2CA12CA1
SCHEMBL1728937 0.81 POLB (0.50) POLBLMNASMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753924-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS AnaMar AB (SE) 2020-12-23 EP disclosed
WO-2000078723-A1 PROCESS FOR THE PREPARATION OF BUTOXYCARBONYLIMINO COMPOUNDS AND INTERMEDIATES THEREFOR GLAXO GROUP LIMITED (GB) 2000-12-28 WO disclosed