SCHEMBL28999920

SCHEMBL28999920

O=C(O)c1ccnc(-c2ccccn2)c1-c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4A O75164 2/20 0.51
KDM6B O15054 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51
DHODH Q02127 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 3/20 0.44
NAPRT Q6XQN6 3/20 0.44
P4HTM Q9NXG6 2/20 0.44
PIN1 Q13526 1/20 0.44
BLM P54132 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43

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
SCHEMBL87737 0.85 KDM4E (0.50) KDM4ETDP1KDM4AKDM6BKDM5C
SCHEMBL15238291 0.83 KDM4E (0.49) KDM4ETDP1KDM4AKDM6BKDM5C
SCHEMBL29364955 0.83 KDM4E (0.49) KDM4ETDP1KDM4AKDM6BKDM5C
SCHEMBL31663481 0.83 KDM4E (0.49) KDM4ETDP1KDM4AKDM6BKDM5C
SCHEMBL8952364 0.83 KDM4E (0.49) KDM4ETDP1KDM4AKDM6BKDM5C
SCHEMBL28556199 0.83 KDM4E (0.49) KDM4ETDP1KDM4AKDM6BKDM5C
SCHEMBL7547123 0.83 P4HTM (0.46) KDM4ETDP1KDM4AKDM6BKDM5C
Zinc Ion SCHEMBL28999919 0.83 P4HTM (0.46) KDM4ETDP1KDM4AKDM6BKDM5C
SCHEMBL29693966 0.82 KDM4E (0.71) KDM4ETDP1KDM4AKDM6BKDM5C
SCHEMBL646624 0.82 KDM4E (0.71) KDM4ETDP1KDM4AKDM6BKDM5C

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
CN-115888491-A Ferroelectric material quantitative mixing preparation device 宁波石化开发区热力有限公司 2023-04-04 CN disclosed