SCHEMBL934607

SCHEMBL934607

NC(=O)CCCc1cccc(-c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.51
▸ PRMT6 Q96LA8 1/20 0.51
▸ KMO O15229 1/20 0.50
▸ BACE1 P56817 1/20 0.49
▸ MKNK1 Q9BUB5 6/20 0.49
▸ MKNK2 Q9HBH9 6/20 0.49
▸ TBXAS1 P24557 7/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ PSIP1 O75475 1/20 0.47
▸ AXL P30530 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CYP2A6 P11509 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL5218911 0.96 TBXAS1 (0.55) EPHX2PRMT6KMOBACE1MKNK1
SCHEMBL6027 0.85 MKNK1 (0.58) MKNK1MKNK2TBXAS1CYP2A6KMT2A
SCHEMBL933474 0.85 PRKCI (0.57) PRMT6MKNK2
SCHEMBL5176875 0.84 EPHX2 (0.55) EPHX2PRMT6KMOBACE1MKNK1
SCHEMBL933853 0.83 TBXAS1 (0.68) TBXAS1RECQLCYP2A6KMT2A
SCHEMBL3187079 0.82 CYP2A6 (0.67) EPHX2PRMT6KMOBACE1MKNK1
SCHEMBL27823198 0.80 RECQL (0.70) EPHX2PRMT6KMOBACE1MKNK1
SCHEMBL5218649 0.80 TRPV1 (0.58) EPHX2MEN1KMT2A
SCHEMBL2183677 0.79 AOC3 (0.43) BACE1
SCHEMBL1139185 0.79 EPHX2 (0.59) EPHX2PRMT6KMOBACE1MKNK1

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-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 — — WO disclosed
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