SCHEMBL7499774

SCHEMBL7499774

COc1cc(N(C(C)=O)c2cccc(NC(=O)c3c(-c4cc(F)ccc4Cl)n[nH]c3C(C)(C)C)c2)cc(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
GRM4 Q14833 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMO Q99835 2/20 0.34
PDE7A Q13946 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL5771897 0.84 PDE7A (0.39) MAPTLMNAGAARAB9ASMN1; SMN2
SCHEMBL7499779 0.82 SMN1; SMN2 (0.47) PTGS2MAPTLMNARAB9ASMN1; SMN2
SCHEMBL5770736 0.80 PTGS2 (0.44) PTGS2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL6697312 0.76 FYN (0.38) MAPTLMNAGAARAB9ASMN1; SMN2
SCHEMBL6691783 0.71 PTGS2 (0.39) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL5773623 0.70 EPAS1 (0.58) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL5771902 0.66 SMN1; SMN2 (0.48) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL5773731 0.65 PTGS2 (0.51) PTGS2MAPTLMNASMN1; SMN2MEN1
SCHEMBL5778310 0.64 POLB (0.51) PTGS2MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL5774719 0.62 PTGS2 (0.48) PTGS2MAPTLMNASMN1; SMN2MEN1

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