SCHEMBL28293849

SCHEMBL28293849

c1ccc2c(C(C3CCCCC3)N3CCCC3)c[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
GLA P06280 1/20 0.43
JAK2 O60674 1/20 0.43
ADRA1D P25100 4/20 0.42
GPR84 Q9NQS5 2/20 0.42
FFAR1 O14842 1/20 0.42
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL22922689 0.79 GPR84 (0.53) LMNAHTTKMT2AMAPK1MAPT
SCHEMBL29871975 0.79 GPR84 (0.53) LMNAHTTKMT2AMAPK1MAPT
SCHEMBL6985439 0.77 MAPK1 (0.48) LMNAHTTKMT2AKDM4EMAPK1
SCHEMBL9456621 0.77 GPR84 (0.54) LMNAHTTKMT2AKDM4EMAPK1
SCHEMBL5261760 0.74 GPR84 (0.46) LMNAHTTKMT2AKDM4EMAPK1
SCHEMBL27663359 0.73 LMNA (0.48) LMNAHTTKMT2AMAPK1MAPT
SCHEMBL11577771 0.73 LMNA (0.44) LMNAHTTKMT2AKDM4EMAPK1
SCHEMBL6614577 0.73 SLC6A4 (0.51)
SCHEMBL5260086 0.72 GPR84 (0.47) LMNAHTTKMT2AKDM4EMAPK1
SCHEMBL2074732 0.71 CYP2D6 (0.57) LMNAHTTKMT2AKDM4EMAPK1

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-109645008-A The application of donaxine and its derivative in Antiphytoviral and germ 河北工业大学 2019-04-19 CN claimed
CN-109645008-A The application of donaxine and its derivative in Antiphytoviral and germ 河北工业大学 2019-04-19 CN disclosed