SCHEMBL14824904

SCHEMBL14824904

Bc1ccc2c(c1Cl)NCCO2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADRA2A P08913 3/20 0.38
ADRA2C P18825 3/20 0.38
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
ADRA2B P18089 2/20 0.38
FABP6 P51161 1/20 0.35
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PRKCI P41743 1/20 0.31

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
SCHEMBL10159205 0.79 MAPT (0.39) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL3295033 0.79 ALDH1A1 (0.46) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL15996968 0.79 ALDH1A1 (0.39) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL3295929 0.79 GAA (0.39) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL13736849 0.75 ALDH1A1 (0.39) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL12533362 0.75 ALDH1A1 (0.39) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL10157297 0.75 ALDH1A1 (0.39) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL16404623 0.70 MAPT (0.43) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL252182 0.69 ADRA2A (0.35) ALDH1A1GAAMAPTHSD17B10ADRA2A
SCHEMBL1191653 0.69 ADRA2A (0.42) ALDH1A1GAAMAPTHSD17B10ADRA2A

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
EP-2574610-A1 Inhibitors of human immonodeficiency virus replication GILEAD SCIENCES, INC. (US) 2013-04-03 EP disclosed