SCHEMBL30366018

SCHEMBL30366018

CCOC(=O)c1cnc(Cl)cc1NCCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
RAD52 P43351 2/20 0.61
UHRF1 Q96T88 1/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RXFP1 Q9HBX9 3/20 0.60
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL25162622 1.00 ATM (0.62) ATMRAD52UHRF1KDM4EMAPK1
SCHEMBL30365362 0.90 ATM (0.50) ATMRAD52UHRF1KDM4EMAPK1
SCHEMBL25162497 0.90 ATM (0.50) ATMRAD52UHRF1KDM4EMAPK1
SCHEMBL25162606 0.90 ATM (0.50) ATMRAD52UHRF1KDM4EMAPK1
SCHEMBL34462300 0.82 ATM (0.62) ATMRAD52UHRF1KDM4EMAPK1
SCHEMBL5496539 0.81 PDE5A (0.47) KDM4EMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL15584189 0.79 KDM4E (0.44) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL20697268 0.78 MEN1 (0.54) ATMRAD52UHRF1KDM4EMAPK1
SCHEMBL28542154 0.78 CYP1A2 (0.54) RAD52UHRF1KDM4EMAPK1MEN1
SCHEMBL4277553 0.77 ALDH1A1 (0.45) KDM4EMAPK1MEN1KMT2APOLB

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-2023060904-A1 NALIDINONE COMPOUND AS FGFR4 INHIBITOR AND USE THEREOF 温州医科大学 2023-04-20 WO disclosed