SCHEMBL8809001

SCHEMBL8809001

COc1ccc(N(C)CCOc2ccc(NC(=O)c3cccc4c(=O)cc(-c5ccccc5)[nH]c34)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.47
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MCHR1 Q99705 5/20 0.42
▸ PLA2G7 Q13093 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL8808218 0.89 ABCG2 (0.44) MAPTMEN1KMT2AHPGDPLA2G7
SCHEMBL8808995 0.88 MCHR1 (0.49) KDRMEN1KMT2AMCHR1TP53
SCHEMBL8807862 0.87 ABCG2 (0.43) MAPTMEN1KMT2AHPGDPLA2G7
SCHEMBL8809008 0.82 MAPT (0.39) KDRMAPTMEN1KMT2AMCHR1
SCHEMBL8808214 0.81 ABCG2 (0.46) MAPTMCHR1KDM4EALDH1A1TP53
SCHEMBL8815856 0.80 MEN1 (0.40) KDRMAPTMEN1KMT2AHPGD
SCHEMBL8807856 0.79 ABCG2 (0.45) MAPTMCHR1KDM4EALDH1A1TP53
SCHEMBL8807108 0.78 MEN1 (0.61) MAPTMEN1KMT2AHPGDKDM4E
SCHEMBL8810132 0.78 KDR (0.45) KDRMAPTMEN1KMT2AHPGD
SCHEMBL8815533 0.78 KDR (0.48) KDRMAPTMCHR1NPC1RAB9A

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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