SCHEMBL26527689

SCHEMBL26527689

CCOC(=O)c1c(CC)nc2nc(C)c(OC)cn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.39
HSD17B2 P37059 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
HCRTR1 O43613 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL26527683 0.89 KDM4E (0.49) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL26527736 0.87 KDM4E (0.40) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL24689678 0.83 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL26527673 0.79 KDM4E (0.44) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL26527746 0.78 KDM4E (0.40) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL23099415 0.77 CYP1A2 (0.42) HPGDMAPK1POLBHSD17B2KMT2A
SCHEMBL23099557 0.76 KDM4E (0.47) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL23099539 0.76 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL26527665 0.76 MAPK1 (0.50) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL23099596 0.74 KDM4E (0.45) ALDH1A1HPGDKDM4EHSD17B10MAPK1

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
WO-2024089170-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2024-05-02 WO disclosed
WO-2023073090-A1 IMIDAZOPYRIDINE AMIDES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2023-05-04 WO disclosed