SCHEMBL11049802

SCHEMBL11049802

COc1ccc(CSc2ncnc3c(N4CC[S+]([O-])CC4)nc(NCCO)nc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.42
SLC29A1 Q99808 6/20 0.41
CCNE2 O96020 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL11049628 0.91 SLC29A1 (0.43) GBA1SLC29A1HPGDMAPTSMN1; SMN2
SCHEMBL11045301 0.89 GBA1 (0.41) GBA1SLC29A1MAPTSMN1; SMN2PDE4A
SCHEMBL11028181 0.89 SLC29A1 (0.43) GBA1SLC29A1PDE4APDE4BPDE4C
SCHEMBL11032824 0.89 SLC29A1 (0.43) SLC29A1HPGDPDE4APDE4BPDE4C
SCHEMBL2460092 0.89 SLC29A1 (0.45) GBA1SLC29A1ALDH1A1HPGDPDE4A
SCHEMBL11031003 0.88 GBA1 (0.41) GBA1SLC29A1CCNE2CCNE1CDK2
SCHEMBL11048512 0.85 SLC29A1 (0.41) GBA1SLC29A1ALDH1A1SMN1; SMN2PDE4A
SCHEMBL11045049 0.84 CCNE2 (0.51) GBA1SLC29A1CCNE2CCNE1CDK2
SCHEMBL10666008 0.84 SLC29A1 (0.42) SLC29A1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL11046570 0.83 CYP1A2 (0.40) SLC29A1CDK2ALDH1A1HPGDPDE4A

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
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 EP disclosed