SCHEMBL7704960

SCHEMBL7704960

O=C(c1ccccc1)n1nc(-c2ccccc2)oc1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
HPGD P15428 7/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 2/20 0.64
F2 P00734 5/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RORC P51449 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TSHR P16473 2/20 0.43
IDO1 P14902 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
F12 P00748 1/20 0.42
ELANE P08246 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL7697751 0.90 SMN1; SMN2 (0.57) KMT2AHPGDSMN1; SMN2KDM4EF2
SCHEMBL7696311 0.83 KMT2A (0.48) KMT2AHPGDSMN1; SMN2KDM4EF2
SCHEMBL10706130 0.82 SMN1; SMN2 (0.70) KMT2AHPGDSMN1; SMN2KDM4ENPC1
SCHEMBL7700706 0.78 KDM4E (0.65) KMT2AHPGDSMN1; SMN2KDM4EMAPT
SCHEMBL10832519 0.77 KMT2A (0.59) KMT2AHPGDSMN1; SMN2KDM4ENPC1
SCHEMBL10704159 0.75 KMT2A (0.60) KMT2AHPGDSMN1; SMN2KDM4EF2
SCHEMBL11871352 0.70 KDM4E (0.51) KMT2AHPGDSMN1; SMN2KDM4EGAA
SCHEMBL427458 0.69 KDM4E (0.53) KMT2AHPGDSMN1; SMN2KDM4ECYP1A2
SCHEMBL14007602 0.69 KDM4E (0.50) KMT2AHPGDSMN1; SMN2KDM4EMAPT
SCHEMBL8386693 0.67 SMN1; SMN2 (0.51) KMT2AHPGDSMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002079176-A1 PROCESS FOR 2,4-DISUBSTITUTED-1,3,4-OXADIAZOLINE-5-THIONE AND 5-ONE COMPOUNDS DOW AGROSCIENCES LLC (US) 2002-10-10 WO disclosed