SCHEMBL10925152

SCHEMBL10925152

Brc1cc(Br)cc(-c2cccc3c2CCN3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.42
PARP11 Q9NR21 4/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
NOTUM Q6P988 1/20 0.36
PARP1 P09874 4/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NUDT1 P36639 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL20539302 0.80 NOTUM (0.47) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL30916119 0.80 NOTUM (0.47) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL29648250 0.79 PARP10 (0.64) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL4718535 0.79 PARP10 (0.64) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL15312190 0.76 PARP10 (0.47) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL31121854 0.76 PARP10 (0.47) PARP10PARP11S1PR1S1PR3NOTUM
SCHEMBL30421356 0.75 PARP10 (0.44) PARP10PARP11S1PR1S1PR3PARP1
SCHEMBL10921073 0.75 PARP10 (0.48) PARP10PARP11NOTUMNUDT1
SCHEMBL30422322 0.75 PARP1 (0.50) PARP10PARP11S1PR1S1PR3PARP1
SCHEMBL30421478 0.75 PARP10 (0.48) PARP10PARP11NOTUMNUDT1

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-0089426-B1 2-AMINO-6-BIPHENYLACETIC ACIDS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-06-11 EP disclosed