SCHEMBL4786950

SCHEMBL4786950

COc1ccc(Br)cc1-c1nc(N)nc(Cl)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
AGPAT2 O15120 5/20 0.46
AMY1A P0DUB6 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
PPARG P37231 1/20 0.43
GFER P55789 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4286785 0.89 RECQL (0.53) AGPAT2ALDH1A1LMNAHSP90AA1HSP90AB1
SCHEMBL4738127 0.78 AGPAT2 (0.48) MGAMGAASIMGAM2AGPAT2
SCHEMBL9566435 0.76 MGAM (0.54) MGAMGAASIMGAM2AGPAT2
SCHEMBL3952206 0.76 HSP90AA1 (0.68) MGAMGAASIMGAM2AGPAT2
SCHEMBL4284941 0.73 RECQL (0.54) AGPAT2ALDH1A1LMNAHSP90AA1HSP90AB1
SCHEMBL31060657 0.73 MGAM (0.42) MGAMGAASIMGAM2AGPAT2
SCHEMBL14125145 0.71 GAA (0.56) MGAMGAASIMGAM2AMY1A
SCHEMBL27631530 0.70 ADORA1 (0.50) MAPK1RECQLADORA2AADORA1L3MBTL1
SCHEMBL13678704 0.69 ALDH1A1 (0.43) MGAMGAASIMGAM2AGPAT2
SCHEMBL3325452 0.69 AGPAT2 (0.46) MGAMGAASIMGAM2AGPAT2

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-2008074445-A1 NOVEL TRICYCLIC AND HETEROTRICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-26 WO claimed
WO-2008074445-A1 NOVEL TRICYCLIC AND HETEROTRICYCLIC DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS THEREOF UCB PHARMA, S.A. (BE) 2008-06-26 WO disclosed