SCHEMBL3458282

SCHEMBL3458282

O=c1oc(Oc2ccccc2)nn1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
MGLL Q99685 5/20 0.47
FAAH O00519 1/20 0.45
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ABHD6 Q9BV23 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3459146 0.84 KMT2A (0.49) KMT2AMGLLFAAHMAPTHTT
SCHEMBL3458215 0.81 MGLL (0.48) MGLLFAAHABHD6ALDH1A1
SCHEMBL2855348 0.73 MGLL (0.71) MGLLFAAH
SCHEMBL2708024 0.69 KMT2A (0.64) KMT2AMAPTHTTSMN1; SMN2LMNA
SCHEMBL2856529 0.68 MGLL (0.67) MGLLFAAH
SCHEMBL2701979 0.68 MGLL (0.61) MGLLFAAH
SCHEMBL9507549 0.67 MAPK1 (0.64) KMT2AMAPTHTTNPSR1SMN1; SMN2
SCHEMBL12171179 0.66 KMT2A (0.52) KMT2AMAPTHTTSMN1; SMN2LMNA
SCHEMBL9553638 0.65 MGLL (0.60) MGLLFAAH
SCHEMBL3458598 0.65 MGLL (0.49) MGLLFAAHABHD6

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
WO-2010151160-A1 O-SUBSTITUTED 3-N-HETEROARYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - PORTELA & CA., S.A. (PT) 2010-12-29 WO claimed
WO-2010151160-A1 O-SUBSTITUTED 3-N-HETEROARYL-1,3,4-OXADIAZOLONES FOR MEDICAL USE BIAL - PORTELA & CA., S.A. (PT) 2010-12-29 WO disclosed