SCHEMBL28856972

SCHEMBL28856972

N#Cc1cccc(-c2ccccn2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.43
GRIA3 P42263 1/20 0.43
PDE4D Q08499 1/20 0.43
GRM5 P41594 5/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TP53 P04637 1/20 0.41
ALPL P05186 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALPI P09923 1/20 0.41

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
SCHEMBL30814370 1.00 GRIA1 (0.43) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL30102603 0.84 GRIA1 (0.51) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL31070227 0.84 GRIA1 (0.51) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL973015 0.84 GRIA1 (0.51) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL5826054 0.82 GRIA1 (0.50) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL18411239 0.81 GRIA1 (0.44) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL22315755 0.81 EGLN2 (0.48) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL21596836 0.81 LRRK2 (0.43) HTTLRRK2ADORA2ACYP11B2ADORA2B
SCHEMBL17866547 0.81 SQOR (0.43) GRIA1GRIA3PDE4DGRM5KDM4E
SCHEMBL30719203 0.81 HTT (0.41) GRM5HTTSMN1; SMN2LRRK2ADORA2A

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-107958958-A A kind of phosphorescent devices of the complex of phosphate metal containing heterocycle 瑞声光电科技(常州)有限公司 2018-04-24 CN disclosed