SCHEMBL14049809

SCHEMBL14049809

O=CNCc1cccc(C(=O)NCc2cccc(-c3nn[nH]n3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ XDH P47989 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CFD P00746 1/20 0.45
▸ CSNK2A1 P68400 1/20 0.44
▸ FAAH O00519 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ CHRM3 P20309 2/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CLK1 P49759 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CTSD P07339 1/20 0.42

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
SCHEMBL14049932 0.77 NR1H4 (0.61) EPHX2NR1H4CFDERN1ALDH1A1
SCHEMBL10053522 0.72 ROCK2 (0.75) —
SCHEMBL14049934 0.70 PPARG (0.55) NR1H4HDAC3HDAC1ALDH1A1NPC1
SCHEMBL4445945 0.70 XDH (0.44) EPHX2NR1H4XDHHDAC3HDAC1
SCHEMBL4445961 0.70 XDH (0.44) EPHX2NR1H4XDHHDAC3HDAC1
SCHEMBL3043353 0.70 FAAH (0.51) EPHX2NR1H4XDHHDAC3HDAC1
SCHEMBL24821278 0.69 ERN1 (0.49) NR1H4ERN1ALDH1A1
SCHEMBL1249264 0.69 HIF1A (0.58) EPHX2NR1H4XDHMAPTCSNK2A1
SCHEMBL2664262 0.68 MEP1B (0.60) NR1H4
SCHEMBL24690112 0.68 CFD (0.46) EPHX2NR1H4XDHHDAC3HDAC1

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-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 — — WO disclosed
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