SCHEMBL13680805

SCHEMBL13680805

O=CCCc1cccc(-c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
BACE1 P56817 2/20 0.49
MKNK1 Q9BUB5 3/20 0.47
MKNK2 Q9HBH9 3/20 0.47
MEN1 O00255 1/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
CYP2A6 P11509 4/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
ERN1 O75460 3/20 0.47
KMO O15229 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2E1 P05181 1/20 0.40

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
SCHEMBL2384628 0.84 MKNK1 (0.57) MKNK1MKNK2CYP2A6CYP3A4ALDH1A1
SCHEMBL348856 0.81 CHRNA7 (0.57) CYP2A6CYP1A2CYP2D6
SCHEMBL13680808 0.81 EPHX2 (0.38) EPHX2PRMT6BACE1
SCHEMBL5990304 0.80 PRMT6 (0.66) EPHX2PRMT6BACE1MKNK1MKNK2
SCHEMBL418611 0.80 GPR52 (0.50) BACE1CYP11B1CYP11B2CYP19A1GPR52
SCHEMBL5216350 0.79 CHRNA7 (0.65) EPHX2PRMT6BACE1MKNK1MKNK2
SCHEMBL1130316 0.79 EPHX2 (0.59) EPHX2PRMT6BACE1MKNK1MKNK2
SCHEMBL4468765 0.79 EPHX2 (0.64) EPHX2PRMT6BACE1MKNK1MKNK2
SCHEMBL1139185 0.79 EPHX2 (0.59) EPHX2PRMT6BACE1MKNK1MKNK2
SCHEMBL1138158 0.79 EPHX2 (0.59) EPHX2PRMT6BACE1MKNK1MKNK2

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed