SCHEMBL8807458

SCHEMBL8807458

COc1ccc(C(C)NCCCOc2ccc(NC(=O)c3cccc(C(=O)c4ccccc4)c3)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.48
▸ KMT2A Q03164 8/20 0.48
▸ MCHR1 Q99705 4/20 0.47
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL8809426 0.89 KMT2A (0.51) MEN1KMT2AMCHR1MAPTNPC1
SCHEMBL8806857 0.86 MEN1 (0.48) MEN1KMT2AMCHR1MAPTLMNA
SCHEMBL8807455 0.79 MEN1 (0.53) MEN1KMT2AMCHR1MAPTLMNA
SCHEMBL8807451 0.77 ACHE (0.55) MEN1KMT2AMCHR1CYP3A4
SCHEMBL8807078 0.77 MAPT (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL8808377 0.77 MAPT (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8810137 0.74 MAPT (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8815541 0.74 MAOB (0.46) MCHR1MAPTLMNANPC1RAB9A
SCHEMBL8807114 0.74 MEN1 (0.59) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL8809008 0.74 MAPT (0.39) MEN1KMT2AMCHR1MAPTNPC1

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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