SCHEMBL23498024

SCHEMBL23498024

Cn1ccc(=O)c2ccc(Br)cc21.Oc1ccnc2cc(Br)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.37
ALK Q9UM73 1/20 0.35
EGFR P00533 1/20 0.35
GAK O14976 1/20 0.33
MC4R P32245 1/20 0.33
EGLN1 Q9GZT9 2/20 0.33
PDGFRA P16234 1/20 0.33
CDK5 Q00535 1/20 0.33
TYRO3 Q06418 1/20 0.33
GSK3B P49841 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAPK8 P45983 1/20 0.32
NCF1 P14598 1/20 0.32
KDM4E B2RXH2 1/20 0.31
KDM6A O15550 1/20 0.31
KDM4A O75164 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM5C P41229 1/20 0.31

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
SCHEMBL22774031 0.81 GSK3B (0.38) EGFREGLN1PDGFRACDK5TYRO3
SCHEMBL29576495 0.81 GSK3B (0.38) EGFREGLN1PDGFRACDK5TYRO3
Hydrochloric Acid SCHEMBL29744368 0.80 GSK3B (0.37) EGFREGLN1PDGFRACDK5TYRO3
SCHEMBL1490718 0.78 ALK (0.50) SLC22A12ALKEGFRGAKNCF1
SCHEMBL9397293 0.73 SLC22A12 (0.45) SLC22A12ALKEGFRGAKKDM4E
SCHEMBL16292269 0.69 LMNA (0.39) GSK3BMAPK8KDM4EKDM6AKDM4A
SCHEMBL30186358 0.69 KDM4E (0.44) GSK3BKDM4EKDM6AKDM4ACYP2C9
SCHEMBL23497809 0.68 ALDH1A1 (0.43) EGLN1GSK3BKDM4E
SCHEMBL15992161 0.67 KDM4E (0.46) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL360254 0.66 SLC22A12 (0.51) SLC22A12ALKGAKNCF1CYP2C19

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-2021116446-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2021-06-17 WO disclosed