SCHEMBL8806850

SCHEMBL8806850

COc1ccc(N(C)CCc2ccc(NC(=O)c3cccc(C(=O)c4ccccc4)c3)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ ROCK2 O75116 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ ACHE P22303 3/20 0.48
▸ BCHE P06276 2/20 0.48
▸ MAPK14 Q16539 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CCR5 P51681 1/20 0.46
▸ CYP2C19 P33261 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
SCHEMBL8806840 0.86 ACHE (0.56) MEN1KMT2AROCK2CYP3A4ACHE
SCHEMBL8807455 0.86 MEN1 (0.53) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL8807334 0.78 MAPT (0.42) MEN1KMT2AROCK2CYP3A4ACHE
SCHEMBL8806857 0.77 MEN1 (0.48) MEN1KMT2AROCK2CYP3A4ACHE
SCHEMBL8807451 0.77 ACHE (0.55) MEN1KMT2AROCK2CYP3A4ACHE
SCHEMBL8809264 0.75 ABCG2 (0.41) MEN1KMT2AROCK2CYP3A4MAPT
SCHEMBL8807954 0.75 F10 (0.43) MEN1KMT2AROCK2CYP3A4MAPT
SCHEMBL8808932 0.74 MEN1 (0.52) MEN1KMT2AMAPTPOLBRAB9A
SCHEMBL8807055 0.74 ABCG2 (0.43) MEN1KMT2AROCK2CYP3A4MAPT
SCHEMBL8830721 0.74 CYP3A4 (0.65) MEN1KMT2ACYP3A4MAPTKDM4E

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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