SCHEMBL11001206

SCHEMBL11001206

O=C(O)c1cn(CC2CC2)c(-c2ccccc2)cc1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.48
CNR1 P21554 10/20 0.48
NOTUM Q6P988 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39

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
SCHEMBL11339117 0.94 CNR2 (0.44) CNR2CNR1
SCHEMBL843172 0.80 CNR2 (0.57) CNR2CNR1
SCHEMBL10991207 0.78 CNR2 (0.56) CNR2CNR1
SCHEMBL10996179 0.76 KDM4E (0.46) CNR2CNR1
SCHEMBL858856 0.76 CNR2 (0.64) CNR2CNR1
SCHEMBL843912 0.75 CNR2 (0.67) CNR2CNR1
SCHEMBL10996318 0.75 CNR2 (0.50) CNR2CNR1
SCHEMBL10998696 0.74 KDM4E (0.53) CNR2CNR1
SCHEMBL859522 0.74 CNR2 (0.66) CNR2CNR1
SCHEMBL10990871 0.74 CNR2 (0.66) CNR2CNR1

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-0003144-A2 4-Pyridone-3-carboxylic acid derivatives, pharmaceutical compositions containing them, processes for their preparation, their application F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-25 EP claimed
US-4549022-A ANTIBACTERIAL AGENT; STIMULANT ON CENTRAL NERVOUS SYSTEM HOFFMANN-LA ROCHE INC. (US) 1985-10-22 US disclosed
US-4521535-A ANTIBACTERIAL AGENTS; STIMULANTS FOR CENTRAL NERVOUS SYSTEM HOFFMANN-LA ROCHE INC. (US) 1985-06-04 US disclosed