SCHEMBL28708581

SCHEMBL28708581

CC(=O)c1ccc2nc(C)cc(C3CCCCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 3/20 0.41
GUSB P08236 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SLC2A1 P11166 1/20 0.38
PSMB5 P28074 2/20 0.38
DHODH Q02127 1/20 0.38
CREBBP Q92793 1/20 0.38
CAMKK2 Q96RR4 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL28714760 0.80 LMNA (0.50) LMNAATMNPC1MAPTRAB9A
SCHEMBL28729113 0.78 ATM (0.55) ATMPSMB5DHODHPTGDR2
SCHEMBL21834809 0.76 CYP1A2 (0.51) LMNAATMRAB9AKDM4EALDH1A1
SCHEMBL28708579 0.76 CYP1A2 (0.51) LMNAATMRAB9AKDM4EALDH1A1
SCHEMBL28709641 0.76 CAMKK1 (0.46) RAB9AL3MBTL1PSMB5DHODHCAMKK2
SCHEMBL28937451 0.76 PSMB5 (0.39) LMNAATMNPC1RAB9ACYP2D6
SCHEMBL30524345 0.76 CAMKK1 (0.46) RAB9AL3MBTL1PSMB5DHODHCAMKK2
SCHEMBL28707993 0.75 GAK (0.44) ATMPSMB5PTGDR2
SCHEMBL28708591 0.74 CYP1A2 (0.53) LMNAATMRAB9AKDM4EALDH1A1
SCHEMBL24209020 0.74 ALDH1A1 (0.47) LMNANPC1RAB9AALDH1A1MEN1

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-114277389-B Method for synthesizing quinoline derivative by utilizing pyridinium photoelectrocatalysis Minisci reaction 齐鲁工业大学 2023-09-19 CN disclosed
CN-114277389-A Method for synthesizing quinoline derivative by utilizing pyridinium photoelectrocatalysis Minisci reaction 齐鲁工业大学 2022-04-05 CN disclosed