SCHEMBL3985274

SCHEMBL3985274

CCOC(=O)COc1ncc(Cl)c2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 4/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL3984196 0.81 MAPT (0.41) ALDH1A1SMN1; SMN2MAPK1POLBNPSR1
SCHEMBL4303747 0.75 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBPABPC1APOBEC3A
SCHEMBL5494773 0.74 KDM4E (0.45) ALDH1A1SMN1; SMN2MAPK1POLBGAA
SCHEMBL6579486 0.72 NCEH1 (0.55) PTGDR2ALDH1A1SMN1; SMN2POLBPABPC1
SCHEMBL11608387 0.71 KDM4E (0.42) ALDH1A1SMN1; SMN2MAPK1POLBGAA
SCHEMBL16559854 0.70 ALDH1A1 (0.55) PTGDR2ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL20074382 0.70 POLB (0.49) PTGDR2ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL4517104 0.69 MEN1 (0.57) PTGDR2ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL1404080 0.69 KDM4E (0.54) PTGDR2ALDH1A1SMN1; SMN2MAPK1POLB
SCHEMBL29119726 0.69 NPC1 (0.37) ALDH1A1SMN1; SMN2MAPK1POLBRXFP1

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-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed