SCHEMBL27489462

SCHEMBL27489462

COc1nc2ccc(Cl)c(-n3c(CO)nnc3-c3cccnc3)c2nc1OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 9/20 0.41
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL27541050 0.90 APLNR (0.41) APLNRHTTMEN1KMT2AMAPK1
SCHEMBL27487153 0.89 GLA (0.37) APLNRALDH1A1MAPT
SCHEMBL7678750 0.89 APLNR (0.39) APLNRHTTMEN1KMT2AMAPK1
SCHEMBL27502563 0.85 APLNR (0.43) APLNRHTTMEN1KMT2AMAPK1
SCHEMBL27410461 0.83 ACHE (0.41) APLNRHTTMAPK1ALDH1A1TSHR
SCHEMBL27413423 0.81 TLR8 (0.34) MEN1KMT2APDE2APDE10A
SCHEMBL7676400 0.79 OXTR (0.41) APLNRHTTMEN1KMT2AMAPK1
SCHEMBL6678132 0.79 OXTR (0.41) APLNRHTTMEN1KMT2AMAPK1
SCHEMBL27409634 0.78 PDE10A (0.37) APLNRHTTMEN1KMT2AALDH1A1
SCHEMBL7682650 0.78 APLNR (0.38) APLNRHTTMEN1KMT2AMAPK1

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-1103770-C Quinoxalinediones PFIZER RES AND DEV CO N V S A (IE) 2003-03-26 CN disclosed
CN-1213369-A Quinoxalinedione compound PFIZER RES & DEV (IE) 1999-04-07 CN disclosed