SCHEMBL28709641

SCHEMBL28709641

Cc1cc(C2CCCCC2)c2cc(-c3ccccc3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAMKK1 Q8N5S9 2/20 0.46
CAMKK2 Q96RR4 2/20 0.46
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPY5R Q15761 1/20 0.41
MAT2A P31153 2/20 0.41
RAB9A P51151 1/20 0.40
NCF1 P14598 1/20 0.40
TRIM58 Q8NG06 1/20 0.40
PSMB5 P28074 2/20 0.39
ADORA1 P30542 1/20 0.39
SLC6A9 P48067 1/20 0.38
DHODH Q02127 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL30524345 1.00 CAMKK1 (0.46) CAMKK1CAMKK2TDP1L3MBTL1NPY5R
SCHEMBL29559171 0.86 NCF1 (0.42) CAMKK1CAMKK2L3MBTL1RAB9ANCF1
SCHEMBL28720194 0.86 NCF1 (0.42) CAMKK1CAMKK2L3MBTL1RAB9ANCF1
SCHEMBL21834809 0.84 CYP1A2 (0.51) TDP1L3MBTL1RAB9ANCF1PSMB5
SCHEMBL28708579 0.84 CYP1A2 (0.51) TDP1L3MBTL1RAB9ANCF1PSMB5
SCHEMBL28714760 0.82 LMNA (0.50) L3MBTL1RAB9APSMB5CYP1A2
SCHEMBL28708591 0.82 CYP1A2 (0.53) TDP1L3MBTL1RAB9ANCF1PSMB5
SCHEMBL28729113 0.80 ATM (0.55) PSMB5DHODH
SCHEMBL28937451 0.78 PSMB5 (0.39) L3MBTL1NPY5RRAB9ANCF1PSMB5
SCHEMBL28707993 0.77 GAK (0.44) PSMB5

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