SCHEMBL13016493

SCHEMBL13016493

C1=CNCC(c2cc(-c3cccnc3)cc(-c3cccc(-c4cncc(-c5cccc(-c6cc(-c7cccnc7)cc(-c7cccnc7)c6)c5)c4)c3)c2)=C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ PSIP1 O75475 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ KMO O15229 1/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2A6 P11509 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP11B1 P15538 8/20 0.40
▸ CYP11B2 P19099 8/20 0.40
▸ CYP17A1 P05093 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL16361130 0.93 MEN1 (0.45) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL15827384 0.88 CYP19A1 (0.41) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL13016401 0.88 NPY5R (0.42) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL15827379 0.88 NPY5R (0.41) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL19598213 0.85 CYP2A6 (0.37) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL19310302 0.84 MEN1 (0.34) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL19598397 0.81 CYP11B1 (0.35) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL18266049 0.81 CYP1A1 (0.31) MEN1CYP1A2CYP2A6CYP3A4
SCHEMBL17306495 0.80 GBA1 (0.44) MEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL19598452 0.79 CYP11B1 (0.34) MKNK1MKNK2MEN1PSIP1AXL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010151389-A1 PROCESS FOR MAKING ORGANIC COMPOUNDS AND THE ORGANIC COMPOUNDS MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2010-12-29 — — WO disclosed
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