SCHEMBL5616625

SCHEMBL5616625

O=C(Nc1ccccc1)Oc1cc[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.51
BLM P54132 1/20 0.51
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
HSP90AA1 P07900 1/20 0.44
RAD51 Q06609 1/20 0.44
TP53 P04637 2/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
CDK9 P50750 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL11036590 0.77
SCHEMBL27652901 0.75 RAB9A (0.31) KDM4EALDH1A1RAB9AMAPT
SCHEMBL29168300 0.75 ALDH1A1 (0.39) KMT2AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL6629780 0.75 NPC1 (0.56) KMT2AGAAKDM4EBLMALDH1A1
SCHEMBL1964113 0.74
SCHEMBL4369600 0.74 LMNA (0.47) KMT2AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL11796988 0.73 ALDH1A1 (0.56) KMT2AGAAKDM4EBLMALDH1A1
SCHEMBL19748 0.72 KMT2A (0.61) KMT2AKDM4EALDH1A1SMN1; SMN2HTT
Phenyl Phenylcarbamate SCHEMBL272994 0.72 ALDH1A1 (0.76) KMT2AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL11250840 0.72 ALDH1A1 (0.47) KMT2AGAAKDM4EBLMALDH1A1

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-2007071656-A1 METHOD FOR CONTROLLING RUSTING IN LEGUMINOUS PLANTS BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 WO disclosed