SCHEMBL8515946

SCHEMBL8515946

c1ccc(Oc2cccc(-c3ncc4ccccc4n3)n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
CYP1A2 P05177 5/20 0.42
L3MBTL1 Q9Y468 6/20 0.40
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
ALPL P05186 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL3786821 0.84 HTT (0.47) KDM4ECYP1A2L3MBTL1LMNASMN1; SMN2
SCHEMBL8778873 0.81 CYP1A2 (0.44) KDM4ECYP1A2L3MBTL1SMN1; SMN2HTT
SCHEMBL8777441 0.81 CYP1A2 (0.43) KDM4ECYP1A2LMNASMN1; SMN2HTT
SCHEMBL8777412 0.81 L3MBTL1 (0.46) CYP1A2L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL8777406 0.81 HAO1 (0.43) KDM4ECYP1A2L3MBTL1LMNASMN1; SMN2
SCHEMBL29784044 0.80 KDM4E (0.57) KDM4ECYP1A2L3MBTL1LMNASMN1; SMN2
SCHEMBL45359 0.80 KDM4E (0.57) KDM4ECYP1A2L3MBTL1LMNASMN1; SMN2
SCHEMBL8777404 0.80 KMT2A (0.52) KDM4ECYP1A2L3MBTL1LMNASMN1; SMN2
SCHEMBL8777351 0.80 HTT (0.52) KDM4ECYP1A2L3MBTL1SMN1; SMN2TDP1
SCHEMBL9607738 0.80 GAA (0.37) KDM4ECYP1A2LMNAHTTMAPT

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-2012069601-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed