SCHEMBL3677899

SCHEMBL3677899

COc1c(OCCCNC(=O)O)ccc2c1N=C(NC(=O)c1cccnc1)N1CCN=C21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.37
MAPT P10636 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
SCHEMBL2257820 0.93 ALDH1A1 (0.37) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1655765 0.92 GAA (0.38) GAAALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL1301071 0.91 MAPT (0.38) GAAALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL6730444 0.91 MAPT (0.39) GAAALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL12362363 0.91 STING1 (0.41) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL12064247 0.90 MAPT (0.38) GAAALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL1656717 0.89 MET (0.42) GAAALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL1497638 0.89 MAPT (0.39) GAAALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL2258176 0.89 GAA (0.36) GAAALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL12108530 0.89 ALDH1A1 (0.38) GAAALDH1A1LMNASMN1; SMN2KMT2A

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
EP-2244721-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO Ý1,2-C¨QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS Bayer Schering Pharma AG (DE) 2010-11-03 EP disclosed
WO-2009091550-A2 SULFONE SUBSTITUTED 2,3-DIHYDROIMIDAZO [1,2-C] QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2009-07-23 WO disclosed