SCHEMBL11249037

SCHEMBL11249037

O=c1o[c]nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
GAA P10253 4/20 0.38
ALDH1A1 P00352 5/20 0.37
HTT P42858 4/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
PAX8 Q06710 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MITF O75030 1/20 0.37
S1PR4 O95977 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
S1PR1 P21453 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HIF1A Q16665 1/20 0.36
CA9 Q16790 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL2828337 0.65 POLB (0.44) POLBGAAALDH1A1HTTLMNA
SCHEMBL9326162 0.64 HTT (0.39) GAAALDH1A1HTTLMNANPC1
SCHEMBL14007388 0.63 MGLL (0.49) ALDH1A1MAPTSMN1; SMN2NPSR1HIF1A
SCHEMBL11337998 0.63 MGLL (0.45) ALDH1A1HTTLMNACA9MGLL
SCHEMBL13787110 0.63 MGLL (0.45) ALDH1A1HTTLMNACA9MGLL
SCHEMBL14007602 0.62 KDM4E (0.50) POLBALDH1A1HTTLMNANPC1
SCHEMBL3488539 0.61 HTT (0.41) POLBGAAALDH1A1HTTNPC1
SCHEMBL21523338 0.60 ALDH1A1 (0.51) POLBGAAALDH1A1HTTLMNA
SCHEMBL15954176 0.60 POLB (0.47) POLBGAAALDH1A1HTTLMNA
SCHEMBL2511848 0.59 POLB (0.60) POLBGAAALDH1A1HTTLMNA

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-0009095-B1 1.3.4-OXADIAZOLE-2-ONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-13 EP disclosed
EP-0009095-A1 1.3.4-Oxadiazole-2-one derivatives, processes for their preparation and their use as optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-02 EP disclosed