SCHEMBL8808178

SCHEMBL8808178

COc1ccc(-c2cc(C(=O)Nc3ccc(CCCN(C)Cc4ccc(OC)c(OC)c4)cc3)c3ccccc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.64
▸ TP53 P04637 4/20 0.64
▸ 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 3/20 0.59
▸ POLB P06746 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CNR1 P21554 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
SCHEMBL8806661 0.95 MAPT (0.66) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8809314 0.92 MEN1 (0.60) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8808186 0.91 CYP3A4 (0.64) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8808572 0.90 CA12 (0.56) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8830721 0.88 CYP3A4 (0.65) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8807105 0.84 MEN1 (0.59) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8809319 0.83 MEN1 (0.61) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8808191 0.82 MAPT (0.62) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8808579 0.81 CA12 (0.57) MAPTTP53CYP3A4MEN1KMT2A
SCHEMBL8830724 0.81 MAPT (0.66) 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 2 patents. 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
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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