SCHEMBL20101039

SCHEMBL20101039

COc1cccc(N/N=C(\c2ccccc2)c2ccccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
KDM6B O15054 1/20 0.55
TET3 O43151 1/20 0.55
KDM4A O75164 1/20 0.55
KDM4B O94953 1/20 0.55
KDM5A P29375 1/20 0.55
KDM5C P41229 1/20 0.55
KDM4D Q6B0I6 1/20 0.55
TET2 Q6N021 1/20 0.55
TET1 Q8NFU7 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
KDM5B Q9UGL1 1/20 0.55
HTT P42858 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 4/20 0.53
AGTR1 P30556 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
MITF O75030 2/20 0.53
OPRK1 P41145 1/20 0.53
HPGD P15428 4/20 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
SCHEMBL20101021 0.84 KDM4E (0.65) KDM4EKDM6BTET3KDM4AKDM4B
SCHEMBL20101032 0.84 KDM4E (0.58) KDM4EKDM6BTET3KDM4AKDM4B
SCHEMBL20101080 0.81 KDM4E (0.72) KDM4EKDM6BTET3KDM4AKDM4B
SCHEMBL4926318 0.81 KDM4E (0.72) KDM4EKDM6BTET3KDM4AKDM4B
SCHEMBL12706320 0.76 PAX8 (0.68) KDM4EKDM6BTET3KDM4AKDM4B
SCHEMBL4916024 0.76 PAX8 (0.68) KDM4EKDM6BTET3KDM4AKDM4B
SCHEMBL18292348 0.74 KMT2A (0.81) KDM4EKDM6BTET3KDM4AKDM4B
SCHEMBL18159120 0.73 KDM4E (0.73) KDM4EKDM6BTET3KDM4AKDM4B
SCHEMBL20101033 0.73 KDM4E (0.58) KDM4EKDM6BTET3KDM4AKDM4B
SCHEMBL20101083 0.73 KDM4E (0.64) KDM4EKDM6BTET3KDM4AKDM4B

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-2018081612-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ACTAVALON, INC. (US) 2018-05-03 WO disclosed