SCHEMBL28564889

SCHEMBL28564889

Cc1cccc(C=N)c1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
LMNA P02545 3/20 0.43
CCR1 P32246 3/20 0.43
CCR5 P51681 3/20 0.43
CCR8 P51685 3/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 4/20 0.42
ALOX15 P16050 3/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALPL P05186 1/20 0.42
HSP90AA1 P07900 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
SCHEMBL20578701 0.83 TSHR (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4151216 0.83 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4726132 0.81 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30824691 0.81 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4156593 0.80 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4155634 0.79 L3MBTL1 (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4155639 0.79 L3MBTL1 (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL19514771 0.77 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28963427 0.76 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8037221 0.74 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8

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-112739781-A Dual conjugate markers and methods of use 宽腾矽公司 2021-04-30 CN disclosed