SCHEMBL8809426

SCHEMBL8809426

CC(NCCCOc1ccc(NC(=O)c2cccc(C(=O)c3ccccc3)c2)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ CA12 O43570 3/20 0.51
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA4 P22748 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ THRB P10828 1/20 0.49
▸ PAX8 Q06710 1/20 0.47
▸ NR1H4 Q96RI1 4/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ SCN8A Q9UQD0 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ MCHR1 Q99705 2/20 0.46
▸ MAOB P27338 1/20 0.45

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
SCHEMBL8807458 0.89 MEN1 (0.48) KMT2AMEN1NPC1CA12CA1
SCHEMBL8812233 0.78 TAAR1 (0.55) KMT2AMEN1NPC1NR1H4MAPT
SCHEMBL8809414 0.76 ACHE (0.62) KMT2AMEN1KDRMAOB
SCHEMBL8812228 0.74 ACHE (0.56) KMT2AMEN1NPC1KDRMCHR1
SCHEMBL8806857 0.74 MEN1 (0.48) KMT2AMEN1NPC1MCHR1MAPT
SCHEMBL5181024 0.72 THRB (0.60) KMT2AMEN1NPC1THRBNR1H4
SCHEMBL30277587 0.72 RAB9A (0.70) KMT2AMEN1NPC1NR1H4MAOB
SCHEMBL1470249 0.72 KDM4E (0.64) KMT2AMEN1MAPTHTT
SCHEMBL5182280 0.71 KMT2A (0.59) KMT2AMEN1NPC1THRBNR1H4
SCHEMBL8807455 0.71 MEN1 (0.53) KMT2AMEN1NPC1KDRMCHR1

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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