SCHEMBL8535957

SCHEMBL8535957

O=C(Nc1ccc(-n2cnnn2)cc1)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
RAB9A P51151 1/20 0.64
KDM4E B2RXH2 3/20 0.62
MEN1 O00255 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 4/20 0.57
TP53 P04637 1/20 0.56
MAPT P10636 2/20 0.54
GAA P10253 2/20 0.54
USP2 O75604 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CYP3A4 P08684 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATF4 P18848 1/20 0.53
ATM Q13315 1/20 0.53
RAD51 Q06609 1/20 0.52

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
SCHEMBL6152076 0.84 KMT2A (0.56) KMT2ARAB9AKDM4EMEN1SMN1; SMN2
SCHEMBL8539679 0.83 ALDH1A1 (0.55) KMT2ARAB9AKDM4EMEN1SMN1; SMN2
SCHEMBL16232250 0.83 KCNJ1 (0.49) KMT2ARAB9AKDM4EMEN1SMN1; SMN2
SCHEMBL15017598 0.83 KMT2A (0.55) KMT2ARAB9AKDM4EMEN1SMN1; SMN2
SCHEMBL18109145 0.81 RAB9A (0.60) KMT2ARAB9AKDM4EMEN1SMN1; SMN2
SCHEMBL11851882 0.80 RAB9A (0.68) KMT2ARAB9AKDM4EMEN1SMN1; SMN2
SCHEMBL6152072 0.79 KMT2A (0.60) KMT2ARAB9AKDM4EMEN1SMN1; SMN2
SCHEMBL7684998 0.79 ALDH1A1 (0.54) KMT2ARAB9AKDM4EMEN1SMN1; SMN2
SCHEMBL8063648 0.78 ALDH1A1 (0.82) KMT2ARAB9AKDM4EMEN1SMN1; SMN2
SCHEMBL11832812 0.77 KDM4E (0.56) KMT2ARAB9AKDM4EMEN1SMN1; SMN2

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
EP-0884311-A2 Triazole Derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1998-12-16 EP disclosed