SCHEMBL7499779

SCHEMBL7499779

COc1cc(NC(=O)Cc2cccc(NC(=O)c3c(-c4cc(F)ccc4Cl)n[nH]c3C(C)(C)C)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.47
KMT2A Q03164 5/20 0.44
HTT P42858 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 3/20 0.43
PTGS2 P35354 1/20 0.41
PDGFRB P09619 1/20 0.39
FLT4 P35916 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL5771902 0.84 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AHTTMAPTMEN1
SCHEMBL5773731 0.83 PTGS2 (0.51) SMN1; SMN2KMT2AHTTMAPTMEN1
SCHEMBL7499774 0.82 PTGS2 (0.37) SMN1; SMN2KMT2AMAPTMEN1LMNA
SCHEMBL5770740 0.80 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AHTTMAPTMEN1
SCHEMBL5778314 0.73 MAPT (0.59) SMN1; SMN2HTTMAPTLMNAPTGS2
SCHEMBL6692601 0.73 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AHTTMAPTMEN1
SCHEMBL6696054 0.72 PTGS2 (0.45) SMN1; SMN2KMT2AHTTMAPTMEN1
SCHEMBL5776889 0.70 PTGS2 (0.62) SMN1; SMN2HTTMAPTLMNAPTGS2
SCHEMBL5773626 0.70 EPAS1 (0.58) SMN1; SMN2HTTMAPTLMNAPTGS2
SCHEMBL5774722 0.70 PTGS2 (0.57) SMN1; SMN2KMT2AHTTMAPTMEN1

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-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 WO disclosed