SCHEMBL28039189

SCHEMBL28039189

CCCCCCCCCCCCNc1c(C)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.47
ESR1 P03372 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
NPSR1 Q6W5P4 4/20 0.44
LMNA P02545 3/20 0.44
S1PR2 O95136 1/20 0.44
ELANE P08246 2/20 0.44
TSHR P16473 3/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 4/20 0.42
MAPK1 P28482 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2A6 P11509 1/20 0.42
ACHE P22303 2/20 0.41
KCNH3 Q9ULD8 1/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 3/20 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
SCHEMBL28039128 1.00 SLC2A1 (0.47) SLC2A1ESR1CNR1CNR2SMN1; SMN2
SCHEMBL28038825 1.00 SLC2A1 (0.47) SLC2A1ESR1CNR1CNR2SMN1; SMN2
SCHEMBL10606889 0.94 CYP1A2 (0.44) SLC2A1CNR1CNR2NPSR1LMNA
SCHEMBL27511792 0.82 SLC2A1 (0.53) SLC2A1ESR1CNR1CNR2SMN1; SMN2
SCHEMBL28744827 0.82 SLC2A1 (0.53) SLC2A1ESR1CNR1CNR2SMN1; SMN2
SCHEMBL11079898 0.82 SLC2A1 (0.45) SLC2A1ESR1CNR1CNR2SMN1; SMN2
SCHEMBL10343357 0.81 CNR1 (0.45) SLC2A1CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL9697546 0.81 CNR1 (0.48) SLC2A1CNR1CNR2SMN1; SMN2NPSR1
SCHEMBL9170859 0.81 ACHE (0.43) SLC2A1ESR1SMN1; SMN2NPSR1LMNA
SCHEMBL15766008 0.81 SLC2A1 (0.50) SLC2A1CNR1CNR2SMN1; SMN2NPSR1

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-104981249-B Antimicrobe compound, their synthesis and its application 英国卫生部 2018-06-19 CN disclosed
CN-104981249-A Antimicrobial compounds, their synthesis and applications thereof SEC DEP FOR HEALTH 2015-10-14 CN disclosed