SCHEMBL4426732

SCHEMBL4426732

NC(=O)COc1ccc(Oc2cccc(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.56
POLB P06746 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAOB P27338 1/20 0.47
AOC3 Q16853 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TNKS O95271 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
FKBP1A P62942 1/20 0.46
CHEK2 O96017 1/20 0.46
NAAA Q02083 1/20 0.45
FFAR1 O14842 2/20 0.45

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
SCHEMBL9205693 0.89 WDR5 (0.70) WDR5POLBADRB2ADRB1ADRB3
SCHEMBL9321543 0.85 MAOA (0.49) WDR5POLBKDM4EALDH1A1MAOB
SCHEMBL1812614 0.82 SMN1; SMN2 (0.65) POLBKDM4EALDH1A1MAOBAOC3
SCHEMBL2170915 0.79 FFAR1 (0.58) ADRB3ALDH1A1TNKSPARP15PARP14
SCHEMBL1816835 0.78 SMN1; SMN2 (0.58) POLBALDH1A1SMN1; SMN2
SCHEMBL10715309 0.78 MAPT (0.54) WDR5ALDH1A1MAOBSMN1; SMN2NAAA
SCHEMBL10876902 0.76 ALDH1A1 (0.53) WDR5ADRB2ADRB1ADRB3KDM4E
SCHEMBL8966908 0.76 LTA4H (0.66) WDR5MAOBSMN1; SMN2FFAR1
SCHEMBL10506137 0.76 MEN1 (0.58) POLBKDM4EALDH1A1PARP10
SCHEMBL7751869 0.76 SCN5A (0.45) WDR5ALDH1A1MAOBSMN1; SMN2NAAA

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
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP claimed
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed