SCHEMBL9818964

SCHEMBL9818964

O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
POLB P06746 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.57
APEX1 P27695 1/20 0.55
ALDH1A1 P00352 4/20 0.51
GAA P10253 1/20 0.51
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
HPGD P15428 2/20 0.49
PDE7A Q13946 1/20 0.46
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HSPB1 P04792 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 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
SCHEMBL7168591 0.90 MAPT (0.67) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL2326248 0.89 MAPT (0.64) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL13749241 0.88 MAPT (0.67) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL13720687 0.85 MAPT (0.64) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL1020458 0.85 MAPT (0.61) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL4008254 0.84 MAPT (0.60) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL22719804 0.84 MAPT (0.53) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL14071618 0.84 MAPT (0.63) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL1471963 0.84 MAPT (0.60) MAPTPOLBSMN1; SMN2APEX1ALDH1A1
SCHEMBL7213711 0.84 MAPT (0.63) MAPTPOLBSMN1; SMN2APEX1ALDH1A1

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
US-5034410-A Nitrile and oxo containing amides or thioamides SYNTEX (U.S.A.) INC. (US) 1991-07-23 US disclosed