SCHEMBL31403672

SCHEMBL31403672

COC(=O)c1cnc2c(ccn2C2COC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
PSMD14 O00487 1/20 0.41
MAPK1 P28482 2/20 0.38
PTGES O14684 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGDS O60760 3/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
P2RX3 P56373 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL31403633 0.89 PSMD14 (0.43) PSMD14MAPK1KDM4EL3MBTL1ALOX15
SCHEMBL31403508 0.88 HPGDS (0.42) DGAT1PSMD14PTGESKDM4EHPGDS
SCHEMBL31403606 0.86 AURKA (0.43) DGAT1PSMD14MAPK1ATMAURKA
SCHEMBL31403738 0.85 DGAT1 (0.44) DGAT1PSMD14PTGESAURKA
SCHEMBL31403618 0.83 HTR1A (0.43) PSMD14MAPK1KDM2BAURKA
SCHEMBL31403664 0.79 PIK3CA (0.40) PSMD14
SCHEMBL31403477 0.77 GPR119 (0.45)
SCHEMBL13199654 0.76 PSMD14 (0.48) PSMD14MAPK1KDM4EL3MBTL1HPGDS
SCHEMBL15339564 0.76 DGAT1 (0.45) DGAT1PSMD14PTGESKDM4EAURKA
SCHEMBL31403646 0.73 DGAT1 (0.50) DGAT1PTGESAURKA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed