SCHEMBL9823673

SCHEMBL9823673

O=C(Cl)c1ccc(Cl)cc1Cl.O=C(Cl)c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
FLT1 P17948 4/20 0.46
FLT4 P35916 4/20 0.46
KDR P35968 4/20 0.46
TP53 P04637 1/20 0.45
GRIK1 P39086 1/20 0.44
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL107060 0.84 SMN1; SMN2 (0.68) SMN1; SMN2TSHRCASP1KDM4EMAPT
SCHEMBL5732135 0.84 SMN1; SMN2 (0.68) SMN1; SMN2TSHRCASP1KDM4EMAPT
SCHEMBL123057 0.82 ALDH1A1 (0.54) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL1164132 0.80 FLT1 (0.51) SMN1; SMN2TSHRCASP1KDM4EMAPT
SCHEMBL1669829 0.76 ALDH1A1 (0.47) SMN1; SMN2TSHRCASP1KDM4EMAPT
SCHEMBL11296424 0.73 L3MBTL1 (0.47) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL5080596 0.73 RECQL (0.71) SMN1; SMN2TSHRCASP1KDM4EMAPT
Benzoyl Chloride SCHEMBL15512882 0.73 MEN1 (0.50) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL29829303 0.73 RECQL (0.71) SMN1; SMN2TSHRCASP1KDM4EMAPT
SCHEMBL257466 0.72 FLT1 (0.49) SMN1; SMN2TSHRCASP1KDM4EMAPT

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-0243982-B1 1-ACYL-2,3-DIHYDRO-4(1H)-QUINOLINONE-4-OXIME DERIVATIVE, PROCESS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITION AND INTERMEDIATES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-04-17 EP disclosed