Sugi Predict

Sugi Predict / Compounds / SCHEMBL5717814

SCHEMBL5717814

SCHEMBL5717814

CCNc1cc(Cl)cc(COc2c(Br)cc(C(=O)NCC(=O)OC(=O)/C=C/c3cc(Br)c(OCc4cc(Cl)cc(NC5CCC5)c4Cl)c(Br)c3)cc2Br)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 13/20 0.33
▸ MAPT P10636 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5717812 0.89 DDR1 (0.32) DDR1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL5717815 0.89 DDR1 (0.32) DDR1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL5717909 0.87 DDR1 (0.31) DDR1
SCHEMBL5717904 0.87 DDR1 (0.31) DDR1
SCHEMBL5717780 0.83 DDR1 (0.33) DDR1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4361512 0.80 PDE4A (0.37) DDR1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4345980 0.79 KDM4E (0.36) RAB9A
SCHEMBL4345974 0.79 KDM4E (0.36) RAB9A
SCHEMBL5717776 0.78 PDE4A (0.36) DDR1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL4348405 0.76 SMN1; SMN2 (0.39) DDR1MAPTRAB9ASMN1; SMN2L3MBTL1

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-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 — — EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 — — WO disclosed