SCHEMBL8830724

SCHEMBL8830724

COc1ccc(-c2cc(C(=O)Nc3ccc(CCNC(C)c4ccc(OC)c(OC)c4)cc3)c3ccccc3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.66
▸ TP53 P04637 3/20 0.66
▸ CYP3A4 P08684 3/20 0.62
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ KDM4E B2RXH2 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ POLB P06746 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HTT P42858 1/20 0.55
▸ CNR1 P21554 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ RUVBL1 Q9Y265 1/20 0.53
▸ TACR3 P29371 1/20 0.52

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
SCHEMBL8808191 0.95 MAPT (0.62) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8809325 0.88 MEN1 (0.58) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8808583 0.87 CA12 (0.55) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8807114 0.84 MEN1 (0.59) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8806661 0.83 MAPT (0.66) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8830721 0.82 CYP3A4 (0.65) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8808178 0.81 MAPT (0.64) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8808186 0.81 CYP3A4 (0.64) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL28569106 0.77 KDM4E (0.77) MAPTCYP3A4MEN1KMT2ANPC1
SCHEMBL8807066 0.75 ABCG2 (0.42) MAPTTP53CYP3A4MEN1KMT2A

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
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