SCHEMBL8808332

SCHEMBL8808332

COc1ccc(CCNCCOc2ccc(NC(=O)c3cccc4nc5ccccc5nc34)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ HTT P42858 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL8808316 0.83 TSHR (0.51) MEN1KMT2AMAPTHTTTHRB
SCHEMBL8807581 0.78 CYP3A4 (0.63) MEN1KMT2AMAPTHTTTHRB
SCHEMBL8790688 0.76 ABCG2 (0.70) MEN1KMT2AMAPTABCG2ADORA3
SCHEMBL8809581 0.76 CYP3A4 (0.60) MEN1KMT2AMAPTHTTNPC1
SCHEMBL8807078 0.76 MAPT (0.46) MEN1KMT2AMAPTHTTTHRB
SCHEMBL8807062 0.76 OPRM1 (0.49) MEN1KMT2AMAPTHTTTHRB
SCHEMBL8807073 0.75 KDR (0.48) MEN1KMT2AMAPTHTTTHRB
SCHEMBL8789125 0.71 ABCG2 (0.65) MEN1KMT2AMAPTABCG2ADORA3
SCHEMBL29386442 0.71 HTT (0.67) MEN1KMT2AMAPTHTTTHRB
SCHEMBL8836072 0.70 ABCG2 (0.66) MEN1KMT2AMAPTABCG2ADORA3

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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