SCHEMBL26527665

SCHEMBL26527665

CCOC(=O)c1c(CC)nc2nc(C)ccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
HCRTR1 O43613 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 2/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
GAA P10253 1/20 0.39

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
SCHEMBL23099643 0.88 ALDH1A1 (0.46) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL26527709 0.84 GABRP (0.37) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13837930 0.81 ALDH1A1 (0.76) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8912167 0.80 SMN1; SMN2 (0.66) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL26527683 0.80 KDM4E (0.49) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL22623466 0.80 ESR1 (0.36) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL22623459 0.79 LMNA (0.43) MAPK1ALDH1A1HPGDKDM4ERAB9A
SCHEMBL26527746 0.77 KDM4E (0.40) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL24689678 0.77 ALDH1A1 (0.46) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12295364 0.76 MAPK1 (0.75) MAPK1ALDH1A1KDM4EHSD17B10SMN1; SMN2

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