SCHEMBL28449772

SCHEMBL28449772

Cc1cc(O)nc(-c2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
CCR1 P32246 3/20 0.52
CCR5 P51681 3/20 0.52
CCR8 P51685 3/20 0.52
LMNA P02545 3/20 0.52
METAP1 P53582 3/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALPL P05186 1/20 0.50
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL1104803 0.88 CCR1 (0.64) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL602881 0.84 KDM4E (0.50) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL10953652 0.83 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL4340551 0.83 KDM4E (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL17132034 0.81 CCR1 (0.63) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL11996129 0.81 CCR1 (0.51) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL23239956 0.80 KDM4E (0.50) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL1104818 0.80 CCR1 (0.55) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL7376781 0.79 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL19690959 0.79 KDM4E (0.58) KDM4ETDP1ALOX15L3MBTL1MAPK1

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
CN-110416586-B Iron-based flow battery, positive and negative electrolyte thereof and preparation method 江西理工大学 2020-09-11 CN claimed
CN-110416586-B Iron-based flow battery, positive and negative electrolyte thereof and preparation method 江西理工大学 2020-09-11 CN disclosed