SCHEMBL8830855

SCHEMBL8830855

COc1ccc(C(C)NCCCSc2ccc(NC(=O)c3cccc4c(=O)c(-c5ccccc5)c[nH]c34)cc2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ ABCB1 P08183 2/20 0.35
▸ CFTR P13569 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL8830851 0.83 BACE1 (0.41) ABCG2MAPTKDM4EMEN1KMT2A
SCHEMBL8830849 0.82 MCHR1 (0.42) ABCG2MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8809375 0.80 MAPT (0.39) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8815867 0.78 MEN1 (0.38) ABCG2MAPTKDM4EMEN1KMT2A
SCHEMBL8808228 0.74 ABCG2 (0.43) ABCG2MAPTKDM4EMEN1KMT2A
SCHEMBL8807874 0.74 ABCG2 (0.43) ABCG2MAPTKDM4EMEN1KMT2A
SCHEMBL8809008 0.73 MAPT (0.39) ABCG2MAPTKDM4EMEN1KMT2A
SCHEMBL8789610 0.70 ABCG2 (0.66) ABCG2MAPTKDM4EMEN1KMT2A
SCHEMBL8790088 0.70 ABCG2 (0.53) ABCG2MAPTMEN1KMT2AABCB1
SCHEMBL8808377 0.70 MAPT (0.40) MAPTKDM4EMEN1KMT2ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
Send feedback