SCHEMBL8806857

SCHEMBL8806857

COc1ccc(C(C)NCCc2ccc(NC(=O)c3cccc(C(=O)c4ccccc4)c3)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ROCK2 O75116 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MCHR1 Q99705 2/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CCR5 P51681 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44

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 0.86 MEN1 (0.48) MEN1KMT2ARAB9ANPC1CYP3A4
SCHEMBL8806840 0.79 ACHE (0.56) MEN1KMT2AROCK2CYP3A4KDM4E
SCHEMBL8806850 0.77 MEN1 (0.53) MEN1KMT2ARAB9ANPC1ROCK2
SCHEMBL8807960 0.75 MAPT (0.43) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL8807066 0.75 ABCG2 (0.42) MEN1KMT2AROCK2CYP3A4MAPT
SCHEMBL8830724 0.74 MAPT (0.66) MEN1KMT2ARAB9ANPC1CYP3A4
SCHEMBL8809426 0.74 KMT2A (0.51) MEN1KMT2ANPC1MAPTMCHR1
SCHEMBL8807451 0.72 ACHE (0.55) MEN1KMT2AROCK2CYP3A4MCHR1
SCHEMBL8806643 0.72 ABCG2 (0.55) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL6148751 0.71 KMT2A (0.63) MEN1KMT2AMAPTPOLBKDM4E

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
Send feedback